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

C24H21ClFN7O — CID 139487417

IUPACN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide
SMILESCn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21
InChIInChI=1S/C24H21ClFN7O/c1-31-17(9-16-8-15(14-2-3-14)4-5-21(16)31)11-33-12-20(29-30-33)24(34)27-10-19-23-22(26)18(25)6-7-32(23)13-28-19/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,34)
InChIKeyDDGPUUXNVFDGHE-UHFFFAOYSA-N
MW477.93 g/mol
LogP4.07
Rot. Bonds6

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

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide (PubChem CID 139487417) has the molecular formula C24H21ClFN7O and a molecular weight of 477.93 g/mol. Its IUPAC name is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide
PubChem CID139487417
Molecular FormulaC24H21ClFN7O
Molecular Weight477.93 g/mol
Exact Mass477.15
IUPAC NameN-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide
SMILESCn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21
InChIInChI=1S/C24H21ClFN7O/c1-31-17(9-16-8-15(14-2-3-14)4-5-21(16)31)11-33-12-20(29-30-33)24(34)27-10-19-23-22(26)18(25)6-7-32(23)13-28-19/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,34)
InChIKeyDDGPUUXNVFDGHE-UHFFFAOYSA-N
XLogP4.07
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide (CID 139487417) is N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-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-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide is Cn1c(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)ccc21.
What is the InChIKey of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is DDGPUUXNVFDGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN7O/c1-31-17(9-16-8-15(14-2-3-14)4-5-21(16)31)11-33-12-20(29-30-33)24(34)27-10-19-23-22(26)18(25)6-7-32(23)13-28-19/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,34).
What are the key properties of N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide?
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 477.93 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).