4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate

C84H82Cl4F4N18O8 — CID 157269846

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CO.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C(C)C.NC1CC1
InChIInChI=1S/C22H21ClFN5O.C20H18ClFN4O2.2C19H16ClFN4O2.C3H7N.CH4O/c1-12(2)16-11-26-20(15-9-13(23)3-6-18(15)24)29-21(16)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-11(2)14-10-24-18(13-8-12(21)4-5-16(13)22)26-19(14)25-17-6-7-23-9-15(17)20(27)28-3;2*1-10(2)13-9-23-17(12-7-11(20)3-4-15(12)21)25-18(13)24-16-5-6-22-8-14(16)19(26)27;4-3-1-2-3;1-2/h3,6-12,14H,4-5H2,1-2H3,(H,27,30)(H,25,26,28,29);4-11H,1-3H3,(H,23,24,25,26);2*3-10H,1-2H3,(H,26,27)(H,22,23,24,25);3H,1-2,4H2;2H,1H3
InChIKeyAYKHUHWUTDRGEW-UHFFFAOYSA-N
MW1689.50 g/mol
LogP19.58
Rot. Bonds21

About 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate

4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 157269846) has the molecular formula C84H82Cl4F4N18O8 and a molecular weight of 1689.50 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate
PubChem CID157269846
Molecular FormulaC84H82Cl4F4N18O8
Molecular Weight1689.50 g/mol
Exact Mass1686.53
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CO.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C(C)C.NC1CC1
InChIInChI=1S/C22H21ClFN5O.C20H18ClFN4O2.2C19H16ClFN4O2.C3H7N.CH4O/c1-12(2)16-11-26-20(15-9-13(23)3-6-18(15)24)29-21(16)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-11(2)14-10-24-18(13-8-12(21)4-5-16(13)22)26-19(14)25-17-6-7-23-9-15(17)20(27)28-3;2*1-10(2)13-9-23-17(12-7-11(20)3-4-15(12)21)25-18(13)24-16-5-6-22-8-14(16)19(26)27;4-3-1-2-3;1-2/h3,6-12,14H,4-5H2,1-2H3,(H,27,30)(H,25,26,28,29);4-11H,1-3H3,(H,23,24,25,26);2*3-10H,1-2H3,(H,26,27)(H,22,23,24,25);3H,1-2,4H2;2H,1H3
InChIKeyAYKHUHWUTDRGEW-UHFFFAOYSA-N
XLogP19.58
TPSA379.05 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001689.50
LogP ≤ 519.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

6-[[6-[(4-Chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 157185311
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyridine-3-carboxylate
CID 157831341
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 157868186
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 158326638
6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]-N-(2,2-dimethylbutyl)pyridine-3-carboxamide;6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 160133292
2-chloro-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(trifluoromethyl)pyrimidin-5-yl]methanol;ethane;ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate;4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 161157896
Bis(methyl 6-[[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxylate);methyl 6-[6-[(4-chlorophenyl)methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]imino-1-hydroxypyridine-3-carboxylate
CID 161221542
bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 161302201
1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone;3-chloro-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-10H-pyrido[2,3-b][1,8]naphthyridine;1-(5-chloro-2-methyl-3-pyridinyl)-1-(2-chloro-3-pyridinyl)-2,2,2-trifluoroethanol;1-(5-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanone;5-chloropyridin-2-amine;N-(5-chloro-2-pyridinyl)-2,2-dimethylpropanamide;N-[5-chloro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide;3-chloro-5-(trifluoromethyl)pyrido[2,3-b][1,8]naphthyridine;3-chloro-5-(trifluoromethyl)-10H-pyrido[2,3-b][1,8]naphthyridin-5-ol
CID 161553246
6-azaspiro[2.5]octane;4-(6-azaspiro[2.5]octan-6-yl)-6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 163914378
6-Chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
CID 157183753
2-aminopropane-1,3-diol;4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-cyclopropyl-4-pyridinyl]amino]pyridine-3-carboxylate
CID 157267894

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate (CID 157269846) is 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate is CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.CO.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C(C)C.NC1CC1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is AYKHUHWUTDRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O.C20H18ClFN4O2.2C19H16ClFN4O2.C3H7N.CH4O/c1-12(2)16-11-26-20(15-9-13(23)3-6-18(15)24)29-21(16)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-11(2)14-10-24-18(13-8-12(21)4-5-16(13)22)26-19(14)25-17-6-7-23-9-15(17)20(27)28-3;2*1-10(2)13-9-23-17(12-7-11(20)3-4-15(12)21)25-18(13)24-16-5-6-22-8-14(16)19(26)27;4-3-1-2-3;1-2/h3,6-12,14H,4-5H2,1-2H3,(H,27,30)(H,25,26,28,29);4-11H,1-3H3,(H,23,24,25,26);2*3-10H,1-2H3,(H,26,27)(H,22,23,24,25);3H,1-2,4H2;2H,1H3.
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate?
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 1689.50 g/mol, XLogP of 19.58, 21 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 157269846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).