5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C106H95Cl2N29O7S2 — CID 160632341

IUPAC5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)ccn1.Nc1c(Cl)c(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C25H19ClN6OS.C25H20N6OS.C20H18N6.C18H18ClN5O2.C18H20N6O3/c26-21-22(15-7-9-31(10-8-15)25(33)20-6-3-11-34-20)30-24-18(14-29-32(24)23(21)27)17-12-16-4-1-2-5-19(16)28-13-17;26-23-13-21(16-7-9-30(10-8-16)25(32)22-6-3-11-33-22)29-24-19(15-28-31(23)24)18-12-17-4-1-2-5-20(17)27-14-18;21-19-10-18(13-5-7-22-8-6-13)25-20-16(12-24-26(19)20)15-9-14-3-1-2-4-17(14)23-11-15;19-12-4-1-10(2-5-12)13-9-22-24-16(20)7-15(23-17(13)24)11-3-6-14(18(25)26)21-8-11;1-27-16-6-10(4-5-20-16)12-9-22-24-15(19)7-14(23-17(12)24)11-2-3-13(18(25)26)21-8-11/h1-7,11-14H,8-10,27H2;1-7,11-15H,8-10,26H2;1-5,9-12,22H,6-8,21H2;1-2,4-5,7,9,11,14,21H,3,6,8,20H2,(H,25,26);4-7,9,11,13,21H,2-3,8,19H2,1H3,(H,25,26)
InChIKeyRIBQXRBDGUIVNY-UHFFFAOYSA-N
MW2022.16 g/mol
LogP16.45
Rot. Bonds15

About 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160632341) has the molecular formula C106H95Cl2N29O7S2 and a molecular weight of 2022.16 g/mol. Its IUPAC name is 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID160632341
Molecular FormulaC106H95Cl2N29O7S2
Molecular Weight2022.16 g/mol
Exact Mass2019.68
IUPAC Name5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)ccn1.Nc1c(Cl)c(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C25H19ClN6OS.C25H20N6OS.C20H18N6.C18H18ClN5O2.C18H20N6O3/c26-21-22(15-7-9-31(10-8-15)25(33)20-6-3-11-34-20)30-24-18(14-29-32(24)23(21)27)17-12-16-4-1-2-5-19(16)28-13-17;26-23-13-21(16-7-9-30(10-8-16)25(32)22-6-3-11-33-22)29-24-19(15-28-31(23)24)18-12-17-4-1-2-5-20(17)27-14-18;21-19-10-18(13-5-7-22-8-6-13)25-20-16(12-24-26(19)20)15-9-14-3-1-2-4-17(14)23-11-15;19-12-4-1-10(2-5-12)13-9-22-24-16(20)7-15(23-17(13)24)11-3-6-14(18(25)26)21-8-11;1-27-16-6-10(4-5-20-16)12-9-22-24-15(19)7-14(23-17(12)24)11-2-3-13(18(25)26)21-8-11/h1-7,11-14H,8-10,27H2;1-7,11-15H,8-10,26H2;1-5,9-12,22H,6-8,21H2;1-2,4-5,7,9,11,14,21H,3,6,8,20H2,(H,25,26);4-7,9,11,13,21H,2-3,8,19H2,1H3,(H,25,26)
InChIKeyRIBQXRBDGUIVNY-UHFFFAOYSA-N
XLogP16.45
TPSA493.15 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds15
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002022.16
LogP ≤ 516.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 163738897
5-[7-Amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157377865
[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;thiophene-2-carboxylic acid
CID 157978664
4-[4-amino-5-[7-(4-chlorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-diethylpiperidine-1-carboxamide;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 158844670
tert-butyl N-[3-oxo-3-[[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]propyl]carbamate;4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;4-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone;[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;1-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]ethanone;4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158930208
5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159851593
[4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-thiophen-3-ylmethanone;4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 160459713
2-[(4-Amino-3-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one;2-[(4-amino-3-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-3-(2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-one
CID 161691884
tert-butyl 2-[2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanoate;tert-butyl 2-[2-(2,5-dichloropyrimidin-4-yl)-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanoate;(2R)-2-[2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide;2-methylpyrazol-3-amine
CID 165102463

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 160632341) is 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1cc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)ccn1.Nc1c(Cl)c(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCN(C(=O)c3cccs3)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2=CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RIBQXRBDGUIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6OS.C25H20N6OS.C20H18N6.C18H18ClN5O2.C18H20N6O3/c26-21-22(15-7-9-31(10-8-15)25(33)20-6-3-11-34-20)30-24-18(14-29-32(24)23(21)27)17-12-16-4-1-2-5-19(16)28-13-17;26-23-13-21(16-7-9-30(10-8-16)25(32)22-6-3-11-33-22)29-24-19(15-28-31(23)24)18-12-17-4-1-2-5-20(17)27-14-18;21-19-10-18(13-5-7-22-8-6-13)25-20-16(12-24-26(19)20)15-9-14-3-1-2-4-17(14)23-11-15;19-12-4-1-10(2-5-12)13-9-22-24-16(20)7-15(23-17(13)24)11-3-6-14(18(25)26)21-8-11;1-27-16-6-10(4-5-20-16)12-9-22-24-15(19)7-14(23-17(12)24)11-2-3-13(18(25)26)21-8-11/h1-7,11-14H,8-10,27H2;1-7,11-15H,8-10,26H2;1-5,9-12,22H,6-8,21H2;1-2,4-5,7,9,11,14,21H,3,6,8,20H2,(H,25,26);4-7,9,11,13,21H,2-3,8,19H2,1H3,(H,25,26).
What are the key properties of 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2022.16 g/mol, XLogP of 16.45, 15 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160632341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).