2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine

C68H64N22O4 — CID 159285289

IUPAC2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCOC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.COc1ccc(-c2ccn3nc(N)c(-c4ccccn4)c3n2)cc1.Nc1nn2cc(C(=O)NCCCN3CCCC3)cnc2c1-c1ccccn1.Nc1nn2ccc(-c3ccccc3)nc2c1-c1ccccn1
InChIInChI=1S/C19H23N7O.C18H15N5O.C17H13N5.C14H13N5O2/c20-17-16(15-6-1-2-7-21-15)18-23-12-14(13-26(18)24-17)19(27)22-8-5-11-25-9-3-4-10-25;1-24-13-7-5-12(6-8-13)14-9-11-23-18(21-14)16(17(19)22-23)15-4-2-3-10-20-15;18-16-15(14-8-4-5-10-19-14)17-20-13(9-11-22(17)21-16)12-6-2-1-3-7-12;1-2-21-14(20)9-7-17-13-11(10-5-3-4-6-16-10)12(15)18-19(13)8-9/h1-2,6-7,12-13H,3-5,8-11H2,(H2,20,24)(H,22,27);2-11H,1H3,(H2,19,22);1-11H,(H2,18,21);3-8H,2H2,1H3,(H2,15,18)
InChIKeyKZKXBNYOLALEKB-UHFFFAOYSA-N
MW1253.41 g/mol
LogP9.23
Rot. Bonds14

About 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine

2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 159285289) has the molecular formula C68H64N22O4 and a molecular weight of 1253.41 g/mol. Its IUPAC name is 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID159285289
Molecular FormulaC68H64N22O4
Molecular Weight1253.41 g/mol
Exact Mass1252.55
IUPAC Name2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCCOC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.COc1ccc(-c2ccn3nc(N)c(-c4ccccn4)c3n2)cc1.Nc1nn2cc(C(=O)NCCCN3CCCC3)cnc2c1-c1ccccn1.Nc1nn2ccc(-c3ccccc3)nc2c1-c1ccccn1
InChIInChI=1S/C19H23N7O.C18H15N5O.C17H13N5.C14H13N5O2/c20-17-16(15-6-1-2-7-21-15)18-23-12-14(13-26(18)24-17)19(27)22-8-5-11-25-9-3-4-10-25;1-24-13-7-5-12(6-8-13)14-9-11-23-18(21-14)16(17(19)22-23)15-4-2-3-10-20-15;18-16-15(14-8-4-5-10-19-14)17-20-13(9-11-22(17)21-16)12-6-2-1-3-7-12;1-2-21-14(20)9-7-17-13-11(10-5-3-4-6-16-10)12(15)18-19(13)8-9/h1-2,6-7,12-13H,3-5,8-11H2,(H2,20,24)(H,22,27);2-11H,1H3,(H2,19,22);1-11H,(H2,18,21);3-8H,2H2,1H3,(H2,15,18)
InChIKeyKZKXBNYOLALEKB-UHFFFAOYSA-N
XLogP9.23
TPSA344.27 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001253.41
LogP ≤ 59.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

US11780845, Example 643
CID 155310738
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162370323
N-(3-fluoro-4-pyridinyl)-1-[[2-methyl-6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]methyl]-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123246093
N-(4,6-dimethyl-3-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(5-fluoro-3-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145564916
(3R,13R)-8-fluoro-13-[[(3S,14R)-8-fluoro-3-(fluoromethyl)-14-methyl-16-oxo-12-oxa-4,10,15,19,20,22-hexazapentacyclo[18.3.1.04,23.06,11.017,21]tetracosa-1(24),6(11),7,9,17(21),18,22-heptaen-24-yl]methyl]-3-methyl-12-oxa-4,10,16,20,21,23-hexazapentacyclo[19.3.1.04,24.06,11.018,22]pentacosa-1(25),6(11),7,9,18(22),19,23-heptaen-17-one
CID 156082079
(3R,13R)-8-fluoro-13-[[(3S,14R)-8-fluoro-3-(fluoromethyl)-14-methyl-16-oxo-12-oxa-4,10,15,19,20,22-hexazapentacyclo[18.3.1.04,23.06,11.017,21]tetracosa-1(24),6(11),7,9,17(21),18,22-heptaen-24-yl]methyl]-25-[[(3R,13S)-8-fluoro-3-methyl-16-oxo-12-oxa-4,10,15,19,20,22-hexazapentacyclo[18.3.1.04,23.06,11.017,21]tetracosa-1(24),6(11),7,9,17(21),18,22-heptaen-13-yl]methyl]-3-methyl-12-oxa-4,10,16,20,21,23-hexazapentacyclo[19.3.1.04,24.06,11.018,22]pentacosa-1(25),6(11),7,9,18(22),19,23-heptaen-17-one
CID 156082104
(3R)-8-fluoro-24-[[(5R,13S)-8-fluoro-5-methyl-16-oxo-12-oxa-4,10,15,19,20,22-hexazapentacyclo[18.3.1.04,23.06,11.017,21]tetracosa-1(24),6(11),7,9,17(21),18,22-heptaen-13-yl]methyl]-3-methylspiro[12-oxa-4,10,15,19,20,22-hexazapentacyclo[18.3.1.04,23.06,11.017,21]tetracosa-1(24),6(11),7,9,17(21),18,22-heptaene-14,1'-cyclopropane]-16-one
CID 156082174
(3S)-N-[2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrimido[1,2-b]indazol-10-yl]-3-[[(5R)-8-fluoro-5,14,14-trimethyl-17-oxo-12-oxa-4,10,16,20,21,23-hexazapentacyclo[19.3.1.04,24.06,11.018,22]pentacosa-1(25),6(11),7,9,18(22),19,23-heptaen-25-yl]oxy]pyrrolidine-1-carboxamide
CID 156082175
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
pyrimidin-4-amine;N-pyrimidin-4-yl-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 157134083
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
2,2-dimethylpropyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidine-2-carboxamide;3-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;phenyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 157288169

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 159285289) is 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine is CCOC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1.COc1ccc(-c2ccn3nc(N)c(-c4ccccn4)c3n2)cc1.Nc1nn2cc(C(=O)NCCCN3CCCC3)cnc2c1-c1ccccn1.Nc1nn2ccc(-c3ccccc3)nc2c1-c1ccccn1.
What is the InChIKey of 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is KZKXBNYOLALEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O.C18H15N5O.C17H13N5.C14H13N5O2/c20-17-16(15-6-1-2-7-21-15)18-23-12-14(13-26(18)24-17)19(27)22-8-5-11-25-9-3-4-10-25;1-24-13-7-5-12(6-8-13)14-9-11-23-18(21-14)16(17(19)22-23)15-4-2-3-10-20-15;18-16-15(14-8-4-5-10-19-14)17-20-13(9-11-22(17)21-16)12-6-2-1-3-7-12;1-2-21-14(20)9-7-17-13-11(10-5-3-4-6-16-10)12(15)18-19(13)8-9/h1-2,6-7,12-13H,3-5,8-11H2,(H2,20,24)(H,22,27);2-11H,1H3,(H2,19,22);1-11H,(H2,18,21);3-8H,2H2,1H3,(H2,15,18).
What are the key properties of 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine?
2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 1253.41 g/mol, XLogP of 9.23, 14 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate;5-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;5-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 159285289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).