5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C22H18FN9O3 — CID 141447315

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(-n3nnc4cccnc43)c(C(=O)O)c2n1
InChIInChI=1S/C22H18FN9O3/c1-35-21-13(10-12(23)11-25-21)15-5-3-8-30(15)16-6-9-31-19(26-16)17(22(33)34)20(28-31)32-18-14(27-29-32)4-2-7-24-18/h2,4,6-7,9-11,15H,3,5,8H2,1H3,(H,33,34)/t15-/m1/s1
InChIKeyBUHQBEYXRTTZIT-OAHLLOKOSA-N
MW475.44 g/mol
LogP2.44
Rot. Bonds5

About 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 141447315) has the molecular formula C22H18FN9O3 and a molecular weight of 475.44 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID141447315
Molecular FormulaC22H18FN9O3
Molecular Weight475.44 g/mol
Exact Mass475.15
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(-n3nnc4cccnc43)c(C(=O)O)c2n1
InChIInChI=1S/C22H18FN9O3/c1-35-21-13(10-12(23)11-25-21)15-5-3-8-30(15)16-6-9-31-19(26-16)17(22(33)34)20(28-31)32-18-14(27-29-32)4-2-7-24-18/h2,4,6-7,9-11,15H,3,5,8H2,1H3,(H,33,34)/t15-/m1/s1
InChIKeyBUHQBEYXRTTZIT-OAHLLOKOSA-N
XLogP2.44
TPSA136.45 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid 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

2-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-8-methoxy-3,4-dihydro-1H-2,7-naphthyridine
CID 91799434
(R)-5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67471053
US9796724, Example 148
CID 67471054
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500102
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-(1,6-dihydro-6-oxo-3-pyridinyl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)-1-pyrrolidinyl]-
CID 67500484
US9782415, Example 243
CID 67500853
N-(5-ethyl-1H-pyrazol-3-yl)-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500855
(R)-5-(2-(5-fluoro-2-methoxypyridin-3-yl)pyrrolidin-1-yl)-N-(3-methyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500926
5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500931
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502494
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502497
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502811

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 141447315) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2nc(-n3nnc4cccnc43)c(C(=O)O)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BUHQBEYXRTTZIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18FN9O3/c1-35-21-13(10-12(23)11-25-21)15-5-3-8-30(15)16-6-9-31-19(26-16)17(22(33)34)20(28-31)32-18-14(27-29-32)4-2-7-24-18/h2,4,6-7,9-11,15H,3,5,8H2,1H3,(H,33,34)/t15-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 475.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-2-(triazolo[4,5-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 141447315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).