N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

C26H21ClFN9OS — CID 139487513

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCc1ncc(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)s1
InChIInChI=1S/C26H21ClFN9OS/c1-14-29-8-22(39-14)18-6-16(15-2-3-15)9-36-10-17(32-25(18)36)11-37-12-21(33-34-37)26(38)30-7-20-24-23(28)19(27)4-5-35(24)13-31-20/h4-6,8-10,12-13,15H,2-3,7,11H2,1H3,(H,30,38)
InChIKeyWTMMADILQWOTEV-UHFFFAOYSA-N
MW562.03 g/mol
LogP4.65
Rot. Bonds7

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 139487513) has the molecular formula C26H21ClFN9OS and a molecular weight of 562.03 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
PubChem CID139487513
Molecular FormulaC26H21ClFN9OS
Molecular Weight562.03 g/mol
Exact Mass561.13
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
SMILESCc1ncc(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)s1
InChIInChI=1S/C26H21ClFN9OS/c1-14-29-8-22(39-14)18-6-16(15-2-3-15)9-36-10-17(32-25(18)36)11-37-12-21(33-34-37)26(38)30-7-20-24-23(28)19(27)4-5-35(24)13-31-20/h4-6,8-10,12-13,15H,2-3,7,11H2,1H3,(H,30,38)
InChIKeyWTMMADILQWOTEV-UHFFFAOYSA-N
XLogP4.65
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.03
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide (CID 139487513) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is Cc1ncc(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)s1.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is WTMMADILQWOTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN9OS/c1-14-29-8-22(39-14)18-6-16(15-2-3-15)9-36-10-17(32-25(18)36)11-37-12-21(33-34-37)26(38)30-7-20-24-23(28)19(27)4-5-35(24)13-31-20/h4-6,8-10,12-13,15H,2-3,7,11H2,1H3,(H,30,38).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 562.03 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).