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

C23H23ClFN9 — CID 139505074

IUPAC[2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESNCc1cc(C2CC2)cn2cc(Cn3cc(CNCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C23H23ClFN9/c24-19-3-4-32-13-28-20(22(32)21(19)25)8-27-7-17-11-34(31-30-17)12-18-10-33-9-16(14-1-2-14)5-15(6-26)23(33)29-18/h3-5,9-11,13-14,27H,1-2,6-8,12,26H2
InChIKeyFHLHMBIBMIDEMT-UHFFFAOYSA-N
MW479.95 g/mol
LogP3.04
Rot. Bonds8

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

[2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 139505074) has the molecular formula C23H23ClFN9 and a molecular weight of 479.95 g/mol. Its IUPAC name is [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine
PubChem CID139505074
Molecular FormulaC23H23ClFN9
Molecular Weight479.95 g/mol
Exact Mass479.17
IUPAC Name[2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESNCc1cc(C2CC2)cn2cc(Cn3cc(CNCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
InChIInChI=1S/C23H23ClFN9/c24-19-3-4-32-13-28-20(22(32)21(19)25)8-27-7-17-11-34(31-30-17)12-18-10-33-9-16(14-1-2-14)5-15(6-26)23(33)29-18/h3-5,9-11,13-14,27H,1-2,6-8,12,26H2
InChIKeyFHLHMBIBMIDEMT-UHFFFAOYSA-N
XLogP3.04
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine with MolForge

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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)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine?
The IUPAC name of [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine (CID 139505074) is [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine?
The canonical SMILES for [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine is NCc1cc(C2CC2)cn2cc(Cn3cc(CNCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.
What is the InChIKey of [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine?
The InChIKey is FHLHMBIBMIDEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN9/c24-19-3-4-32-13-28-20(22(32)21(19)25)8-27-7-17-11-34(31-30-17)12-18-10-33-9-16(14-1-2-14)5-15(6-26)23(33)29-18/h3-5,9-11,13-14,27H,1-2,6-8,12,26H2.
What are the key properties of [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine?
[2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 479.95 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylamino]methyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 139505074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).