N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide

C21H21FN8O2 — CID 90383490

IUPACN-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1
InChIInChI=1S/C21H21FN8O2/c1-28-19(16(11-24-28)17-10-15(32-2)3-6-23-17)20(31)25-14-5-8-30-18(9-14)26-21(27-30)29-7-4-13(22)12-29/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,25,31)/t13-/m0/s1
InChIKeyDTJWEQQUSCJHLK-ZDUSSCGKSA-N
MW436.45 g/mol
LogP2.33
Rot. Bonds5

About N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide

N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383490) has the molecular formula C21H21FN8O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide
PubChem CID90383490
Molecular FormulaC21H21FN8O2
Molecular Weight436.45 g/mol
Exact Mass436.18
IUPAC NameN-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1
InChIInChI=1S/C21H21FN8O2/c1-28-19(16(11-24-28)17-10-15(32-2)3-6-23-17)20(31)25-14-5-8-30-18(9-14)26-21(27-30)29-7-4-13(22)12-29/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,25,31)/t13-/m0/s1
InChIKeyDTJWEQQUSCJHLK-ZDUSSCGKSA-N
XLogP2.33
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 90383131
1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
CID 90383109
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 158694139
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 162543149
2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
CID 158575465
4-(4-methoxy-2-pyridinyl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 90383093
4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide
CID 67959677
4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414914
1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67776711
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953
1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;bis(1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone)
CID 159467906

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide (CID 90383490) is N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide is COc1ccnc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.
What is the InChIKey of N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is DTJWEQQUSCJHLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21FN8O2/c1-28-19(16(11-24-28)17-10-15(32-2)3-6-23-17)20(31)25-14-5-8-30-18(9-14)26-21(27-30)29-7-4-13(22)12-29/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,25,31)/t13-/m0/s1.
What are the key properties of N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).