N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide

C21H21FN8O — CID 90383489

IUPACN-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)n1
InChIInChI=1S/C21H21FN8O/c1-13-4-3-5-17(24-13)16-11-23-28(2)19(16)20(31)25-15-7-9-30-18(10-15)26-21(27-30)29-8-6-14(22)12-29/h3-5,7,9-11,14H,6,8,12H2,1-2H3,(H,25,31)/t14-/m0/s1
InChIKeyOWYLPIRQGWDITI-AWEZNQCLSA-N
MW420.45 g/mol
LogP2.63
Rot. Bonds4

About N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide

N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 90383489) has the molecular formula C21H21FN8O and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID90383489
Molecular FormulaC21H21FN8O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC NameN-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)n1
InChIInChI=1S/C21H21FN8O/c1-13-4-3-5-17(24-13)16-11-23-28(2)19(16)20(31)25-15-7-9-30-18(10-15)26-21(27-30)29-8-6-14(22)12-29/h3-5,7,9-11,14H,6,8,12H2,1-2H3,(H,25,31)/t14-/m0/s1
InChIKeyOWYLPIRQGWDITI-AWEZNQCLSA-N
XLogP2.63
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide (CID 90383489) is N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-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]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide is Cc1cccc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)n1.
What is the InChIKey of N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is OWYLPIRQGWDITI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21FN8O/c1-13-4-3-5-17(24-13)16-11-23-28(2)19(16)20(31)25-15-7-9-30-18(10-15)26-21(27-30)29-8-6-14(22)12-29/h3-5,7,9-11,14H,6,8,12H2,1-2H3,(H,25,31)/t14-/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]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide?
N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).