N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C23H22N8O — CID 139487384

IUPACN-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESNc1ccc2c(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)ncn2c1
InChIInChI=1S/C23H22N8O/c24-18-4-5-21-20(26-14-30(21)11-18)8-25-23(32)17-7-27-31(10-17)13-19-12-29-9-16(15-1-2-15)3-6-22(29)28-19/h3-7,9-12,14-15H,1-2,8,13,24H2,(H,25,32)
InChIKeyZLVVYLDXDWLPNJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.62
Rot. Bonds6

About N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487384) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139487384
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESNc1ccc2c(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)ncn2c1
InChIInChI=1S/C23H22N8O/c24-18-4-5-21-20(26-14-30(21)11-18)8-25-23(32)17-7-27-31(10-17)13-19-12-29-9-16(15-1-2-15)3-6-22(29)28-19/h3-7,9-12,14-15H,1-2,8,13,24H2,(H,25,32)
InChIKeyZLVVYLDXDWLPNJ-UHFFFAOYSA-N
XLogP2.62
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487384) is N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is Nc1ccc2c(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)ncn2c1.
What is the InChIKey of N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZLVVYLDXDWLPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c24-18-4-5-21-20(26-14-30(21)11-18)8-25-23(32)17-7-27-31(10-17)13-19-12-29-9-16(15-1-2-15)3-6-22(29)28-19/h3-7,9-12,14-15H,1-2,8,13,24H2,(H,25,32).
What are the key properties of N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).