5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride

C88H127ClF8N32O14 — CID 161000385

IUPAC5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)c(C(F)F)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cnn4ccc(N)nc34)c(C(F)F)n2)CC1.CCOCC.CCOCC.CCOCC.CCOCC.Cl.Nc1ccn2ncc(C(=O)Nc3cn(C4CCNCC4)nc3C(F)F)c2n1.Nc1ccn2ncc(C(=O)O)c2n1.Nc1ccn2ncc(C(=O)On3nnc4cccnc43)c2n1.[2H]CF.[2H]CF
InChIInChI=1S/C21H26F2N8O3.C16H18F2N8O.C14H22F2N4O2.C12H8N8O2.C7H6N4O2.4C4H10O.2CH3F.ClH/c1-21(2,3)34-20(33)29-7-4-12(5-8-29)31-11-14(16(28-31)17(22)23)26-19(32)13-10-25-30-9-6-15(24)27-18(13)30;17-14(18)13-11(8-26(24-13)9-1-4-20-5-2-9)22-16(27)10-7-21-25-6-3-12(19)23-15(10)25;1-14(2,3)22-13(21)19-6-4-9(5-7-19)20-8-10(17)11(18-20)12(15)16;13-9-3-5-19-10(16-9)7(6-15-19)12(21)22-20-11-8(17-18-20)2-1-4-14-11;8-5-1-2-11-6(10-5)4(3-9-11)7(12)13;4*1-3-5-4-2;2*1-2;/h6,9-12,17H,4-5,7-8H2,1-3H3,(H2,24,27)(H,26,32);3,6-9,14,20H,1-2,4-5H2,(H2,19,23)(H,22,27);8-9,12H,4-7,17H2,1-3H3;1-6H,(H2,13,16);1-3H,(H2,8,10)(H,12,13);4*3-4H2,1-2H3;2*1H3;1H/i;;;;;;;;;2*1D;
InChIKeyYNBSYBZSXICCLI-LIKLKWDGSA-N
MW2046.64 g/mol
LogP13.36
Rot. Bonds21

About 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride

5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride (PubChem CID 161000385) has the molecular formula C88H127ClF8N32O14 and a molecular weight of 2046.64 g/mol. Its IUPAC name is 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
PubChem CID161000385
Molecular FormulaC88H127ClF8N32O14
Molecular Weight2046.64 g/mol
Exact Mass2044.99
IUPAC Name5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)c(C(F)F)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cnn4ccc(N)nc34)c(C(F)F)n2)CC1.CCOCC.CCOCC.CCOCC.CCOCC.Cl.Nc1ccn2ncc(C(=O)Nc3cn(C4CCNCC4)nc3C(F)F)c2n1.Nc1ccn2ncc(C(=O)O)c2n1.Nc1ccn2ncc(C(=O)On3nnc4cccnc43)c2n1.[2H]CF.[2H]CF
InChIInChI=1S/C21H26F2N8O3.C16H18F2N8O.C14H22F2N4O2.C12H8N8O2.C7H6N4O2.4C4H10O.2CH3F.ClH/c1-21(2,3)34-20(33)29-7-4-12(5-8-29)31-11-14(16(28-31)17(22)23)26-19(32)13-10-25-30-9-6-15(24)27-18(13)30;17-14(18)13-11(8-26(24-13)9-1-4-20-5-2-9)22-16(27)10-7-21-25-6-3-12(19)23-15(10)25;1-14(2,3)22-13(21)19-6-4-9(5-7-19)20-8-10(17)11(18-20)12(15)16;13-9-3-5-19-10(16-9)7(6-15-19)12(21)22-20-11-8(17-18-20)2-1-4-14-11;8-5-1-2-11-6(10-5)4(3-9-11)7(12)13;4*1-3-5-4-2;2*1-2;/h6,9-12,17H,4-5,7-8H2,1-3H3,(H2,24,27)(H,26,32);3,6-9,14,20H,1-2,4-5H2,(H2,19,23)(H,22,27);8-9,12H,4-7,17H2,1-3H3;1-6H,(H2,13,16);1-3H,(H2,8,10)(H,12,13);4*3-4H2,1-2H3;2*1H3;1H/i;;;;;;;;;2*1D;
InChIKeyYNBSYBZSXICCLI-LIKLKWDGSA-N
XLogP13.36
TPSA577.75 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002046.64
LogP ≤ 513.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

Analyze 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride with MolForge

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Related Compounds

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CID 157210328
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-(2-methylpropyl)piperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;hydrochloride
CID 157440497
2-amino-6-chloro-N-(4-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(4-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157592250
pyridin-3-amine;N-pyridin-3-yl-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 157986632
1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;tert-butyl 2-(4-aminopyrazol-1-yl)acetate;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl nitrite;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4,4,4-trifluorobutanoic acid;4,4,4-trifluoro-1-[4-(2-iodo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one;hydrochloride
CID 158042310
1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;tert-butyl nitrite;methane;8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-(trifluoromethoxy)acetic acid;hydrochloride
CID 158224023
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
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3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide;prop-2-enoyl chloride;(3R)-pyrrolidin-3-ol;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]prop-2-enamide;4-N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridine-2,4-diamine
CID 158448827
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CID 158546112
pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
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sodium;2-chloropyrazine;deuterio(fluoro)methane;3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate;ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine;hydroxide
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(6R)-15-ethyl-9-fluoro-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;5-[2-[2-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2R)-2-[2-[2-[ethyl-[(2,2,2-trifluoroacetyl)amino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde
CID 160569078

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
The IUPAC name of 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride (CID 161000385) is 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride.
What is the SMILES notation for 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
The canonical SMILES for 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(N)c(C(F)F)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cnn4ccc(N)nc34)c(C(F)F)n2)CC1.CCOCC.CCOCC.CCOCC.CCOCC.Cl.Nc1ccn2ncc(C(=O)Nc3cn(C4CCNCC4)nc3C(F)F)c2n1.Nc1ccn2ncc(C(=O)O)c2n1.Nc1ccn2ncc(C(=O)On3nnc4cccnc43)c2n1.[2H]CF.[2H]CF.
What is the InChIKey of 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
The InChIKey is YNBSYBZSXICCLI-LIKLKWDGSA-N. The full InChI is InChI=1S/C21H26F2N8O3.C16H18F2N8O.C14H22F2N4O2.C12H8N8O2.C7H6N4O2.4C4H10O.2CH3F.ClH/c1-21(2,3)34-20(33)29-7-4-12(5-8-29)31-11-14(16(28-31)17(22)23)26-19(32)13-10-25-30-9-6-15(24)27-18(13)30;17-14(18)13-11(8-26(24-13)9-1-4-20-5-2-9)22-16(27)10-7-21-25-6-3-12(19)23-15(10)25;1-14(2,3)22-13(21)19-6-4-9(5-7-19)20-8-10(17)11(18-20)12(15)16;13-9-3-5-19-10(16-9)7(6-15-19)12(21)22-20-11-8(17-18-20)2-1-4-14-11;8-5-1-2-11-6(10-5)4(3-9-11)7(12)13;4*1-3-5-4-2;2*1-2;/h6,9-12,17H,4-5,7-8H2,1-3H3,(H2,24,27)(H,26,32);3,6-9,14,20H,1-2,4-5H2,(H2,19,23)(H,22,27);8-9,12H,4-7,17H2,1-3H3;1-6H,(H2,13,16);1-3H,(H2,8,10)(H,12,13);4*3-4H2,1-2H3;2*1H3;1H/i;;;;;;;;;2*1D;.
What are the key properties of 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride?
5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride has a molecular weight of 2046.64 g/mol, XLogP of 13.36, 21 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(difluoromethyl)-1-piperidin-4-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate;deuterio(fluoro)methane;ethoxyethane;triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 161000385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).