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

C24H18ClFN8O — CID 139487642

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESC#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C24H18ClFN8O/c1-2-14-7-16(15-3-4-15)9-33-10-17(29-23(14)33)11-34-12-20(30-31-34)24(35)27-8-19-22-21(26)18(25)5-6-32(22)13-28-19/h1,5-7,9-10,12-13,15H,3-4,8,11H2,(H,27,35)
InChIKeyMAYHRVBMCWJNCC-UHFFFAOYSA-N
MW488.91 g/mol
LogP3.20
Rot. Bonds6

About N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[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-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139487642) has the molecular formula C24H18ClFN8O and a molecular weight of 488.91 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[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-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
PubChem CID139487642
Molecular FormulaC24H18ClFN8O
Molecular Weight488.91 g/mol
Exact Mass488.13
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide
SMILESC#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C24H18ClFN8O/c1-2-14-7-16(15-3-4-15)9-33-10-17(29-23(14)33)11-34-12-20(30-31-34)24(35)27-8-19-22-21(26)18(25)5-6-32(22)13-28-19/h1,5-7,9-10,12-13,15H,3-4,8,11H2,(H,27,35)
InChIKeyMAYHRVBMCWJNCC-UHFFFAOYSA-N
XLogP3.20
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.91
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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-ethynylimidazo[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-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide (CID 139487642) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[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-ethynylimidazo[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-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is C#Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is MAYHRVBMCWJNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN8O/c1-2-14-7-16(15-3-4-15)9-33-10-17(29-23(14)33)11-34-12-20(30-31-34)24(35)27-8-19-22-21(26)18(25)5-6-32(22)13-28-19/h1,5-7,9-10,12-13,15H,3-4,8,11H2,(H,27,35).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-ethynylimidazo[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-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 488.91 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-ethynylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).