5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine

C34H29ClF4N12O2 — CID 157208811

IUPAC5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine
SMILESCOc1ncc(F)cc1[C@H]1C[C@H](F)CN1.COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1.N#Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C17H14F2N6O.C10H12F2N2O.C7H3ClN4/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25;1-15-10-8(2-6(11)5-14-10)9-3-7(12)4-13-9;8-6-1-2-12-7(11-6)5(3-9)4-10-12/h2-4,7-8,12,14H,5,9H2,1H3;2,5,7,9,13H,3-4H2,1H3;1-2,4H/t12-,14+;7-,9+;/m00./s1
InChIKeyARQRCXQYXTWZDQ-XAFVWXAESA-N
MW749.13 g/mol
LogP5.29
Rot. Bonds5

About 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine

5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine (PubChem CID 157208811) has the molecular formula C34H29ClF4N12O2 and a molecular weight of 749.13 g/mol. Its IUPAC name is 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine
PubChem CID157208811
Molecular FormulaC34H29ClF4N12O2
Molecular Weight749.13 g/mol
Exact Mass748.22
IUPAC Name5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine
SMILESCOc1ncc(F)cc1[C@H]1C[C@H](F)CN1.COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1.N#Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C17H14F2N6O.C10H12F2N2O.C7H3ClN4/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25;1-15-10-8(2-6(11)5-14-10)9-3-7(12)4-13-9;8-6-1-2-12-7(11-6)5(3-9)4-10-12/h2-4,7-8,12,14H,5,9H2,1H3;2,5,7,9,13H,3-4H2,1H3;1-2,4H/t12-,14+;7-,9+;/m00./s1
InChIKeyARQRCXQYXTWZDQ-XAFVWXAESA-N
XLogP5.29
TPSA167.47 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.13
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-((2R,4S)-4-fluoro-2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 129137805
8-(2-chloro-4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397914
N-[(3S,4R)-3-fluoro-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397919
(5-fluoro-2-methoxy-pyridin-3-ylmethyl)-{6-fluoro-5-[5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl]-pyridin-2-yl}-amine
CID 67198895
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-[[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
CID 67200109
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-[[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
CID 67200969
6-fluoro-N-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-5-[[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine
CID 67201829
N-[3-fluoro-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67372782
N-[(3S)-3-fluoro-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68270154
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 155673001
1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine
CID 156771478
8-[2-Chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methoxy-6-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 162211309

Frequently Asked Questions

What is the IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine?
The IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine (CID 157208811) is 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine.
What is the SMILES notation for 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine?
The canonical SMILES for 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine is COc1ncc(F)cc1[C@H]1C[C@H](F)CN1.COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1.N#Cc1cnn2ccc(Cl)nc12.
What is the InChIKey of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine?
The InChIKey is ARQRCXQYXTWZDQ-XAFVWXAESA-N. The full InChI is InChI=1S/C17H14F2N6O.C10H12F2N2O.C7H3ClN4/c1-26-17-13(4-11(18)8-21-17)14-5-12(19)9-24(14)15-2-3-25-16(23-15)10(6-20)7-22-25;1-15-10-8(2-6(11)5-14-10)9-3-7(12)4-13-9;8-6-1-2-12-7(11-6)5(3-9)4-10-12/h2-4,7-8,12,14H,5,9H2,1H3;2,5,7,9,13H,3-4H2,1H3;1-2,4H/t12-,14+;7-,9+;/m00./s1.
What are the key properties of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine?
5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine has a molecular weight of 749.13 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[(2R,4S)-4-fluoro-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-2-methoxypyridine is sourced from PubChem (CID 157208811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).