2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C30H28FN7O — CID 54770806

IUPAC2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCc1nc(N2CCCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H28FN7O/c1-20-26(13-15-27(32-20)37-16-2-3-17-37)34-30-35-28-14-8-23(19-38(28)36-30)22-6-11-25(12-7-22)33-29(39)18-21-4-9-24(31)10-5-21/h4-15,19H,2-3,16-18H2,1H3,(H,33,39)(H,34,36)
InChIKeyGXBDQMPTJYEKIW-UHFFFAOYSA-N
MW521.60 g/mol
LogP5.76
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 54770806) has the molecular formula C30H28FN7O and a molecular weight of 521.60 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID54770806
Molecular FormulaC30H28FN7O
Molecular Weight521.60 g/mol
Exact Mass521.23
IUPAC Name2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCc1nc(N2CCCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H28FN7O/c1-20-26(13-15-27(32-20)37-16-2-3-17-37)34-30-35-28-14-8-23(19-38(28)36-30)22-6-11-25(12-7-22)33-29(39)18-21-4-9-24(31)10-5-21/h4-15,19H,2-3,16-18H2,1H3,(H,33,39)(H,34,36)
InChIKeyGXBDQMPTJYEKIW-UHFFFAOYSA-N
XLogP5.76
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 54770806) is 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is Cc1nc(N2CCCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is GXBDQMPTJYEKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7O/c1-20-26(13-15-27(32-20)37-16-2-3-17-37)34-30-35-28-14-8-23(19-38(28)36-30)22-6-11-25(12-7-22)33-29(39)18-21-4-9-24(31)10-5-21/h4-15,19H,2-3,16-18H2,1H3,(H,33,39)(H,34,36).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 521.60 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[2-[(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 54770806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).