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[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate

C24H20ClFN8O3 — CID 153431006

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate
SMILESO=COCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C24H20ClFN8O3/c25-18-3-4-32-12-28-19(22(32)21(18)26)6-27-24(36)20-10-34(31-30-20)9-17-8-33-7-15(14-1-2-14)5-16(11-37-13-35)23(33)29-17/h3-5,7-8,10,12-14H,1-2,6,9,11H2,(H,27,36)
InChIKeyBVBJXWBDYNIDKB-UHFFFAOYSA-N
MW522.93 g/mol
LogP2.89
Rot. Bonds9

About [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate

[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate (PubChem CID 153431006) has the molecular formula C24H20ClFN8O3 and a molecular weight of 522.93 g/mol. Its IUPAC name is [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate.

Molecular Properties

Compound Name[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate
PubChem CID153431006
Molecular FormulaC24H20ClFN8O3
Molecular Weight522.93 g/mol
Exact Mass522.13
IUPAC Name[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate
SMILESO=COCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C24H20ClFN8O3/c25-18-3-4-32-12-28-19(22(32)21(18)26)6-27-24(36)20-10-34(31-30-20)9-17-8-33-7-15(14-1-2-14)5-16(11-37-13-35)23(33)29-17/h3-5,7-8,10,12-14H,1-2,6,9,11H2,(H,27,36)
InChIKeyBVBJXWBDYNIDKB-UHFFFAOYSA-N
XLogP2.89
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.93
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate?
The IUPAC name of [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate (CID 153431006) is [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate.
What is the SMILES notation for [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate?
The canonical SMILES for [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate is O=COCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate?
The InChIKey is BVBJXWBDYNIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN8O3/c25-18-3-4-32-12-28-19(22(32)21(18)26)6-27-24(36)20-10-34(31-30-20)9-17-8-33-7-15(14-1-2-14)5-16(11-37-13-35)23(33)29-17/h3-5,7-8,10,12-14H,1-2,6,9,11H2,(H,27,36).
What are the key properties of [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate?
[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate has a molecular weight of 522.93 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl formate is sourced from PubChem (CID 153431006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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