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

C23H21ClFN9O — CID 139487674

IUPAC1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
SMILESNCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C23H21ClFN9O/c24-17-3-4-32-12-28-18(21(32)20(17)25)7-27-23(35)19-11-34(31-30-19)10-16-9-33-8-15(13-1-2-13)5-14(6-26)22(33)29-16/h3-5,8-9,11-13H,1-2,6-7,10,26H2,(H,27,35)
InChIKeyMEGRLAAWHTVKRH-UHFFFAOYSA-N
MW493.93 g/mol
LogP2.68
Rot. Bonds7

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

1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide (PubChem CID 139487674) has the molecular formula C23H21ClFN9O and a molecular weight of 493.93 g/mol. Its IUPAC name is 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
PubChem CID139487674
Molecular FormulaC23H21ClFN9O
Molecular Weight493.93 g/mol
Exact Mass493.15
IUPAC Name1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide
SMILESNCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C23H21ClFN9O/c24-17-3-4-32-12-28-18(21(32)20(17)25)7-27-23(35)19-11-34(31-30-19)10-16-9-33-8-15(13-1-2-13)5-14(6-26)22(33)29-16/h3-5,8-9,11-13H,1-2,6-7,10,26H2,(H,27,35)
InChIKeyMEGRLAAWHTVKRH-UHFFFAOYSA-N
XLogP2.68
TPSA120.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide (CID 139487674) is 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide is NCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?
The InChIKey is MEGRLAAWHTVKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN9O/c24-17-3-4-32-12-28-18(21(32)20(17)25)7-27-23(35)19-11-34(31-30-19)10-16-9-33-8-15(13-1-2-13)5-14(6-26)22(33)29-16/h3-5,8-9,11-13H,1-2,6-7,10,26H2,(H,27,35).
What are the key properties of 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide?
1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide has a molecular weight of 493.93 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]-N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 139487674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).