N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C24H24N8O — CID 139498973

IUPACN-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESNC1=CCn2cnc(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)c2C=C1
InChIInChI=1S/C24H24N8O/c25-19-4-5-22-21(27-15-30(22)8-7-19)10-26-24(33)18-9-28-32(12-18)14-20-13-31-11-17(16-1-2-16)3-6-23(31)29-20/h3-7,9,11-13,15-16H,1-2,8,10,14,25H2,(H,26,33)
InChIKeyBKIVYTHWLABWQQ-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.45
Rot. Bonds6

About N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139498973) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139498973
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC NameN-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESNC1=CCn2cnc(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)c2C=C1
InChIInChI=1S/C24H24N8O/c25-19-4-5-22-21(27-15-30(22)8-7-19)10-26-24(33)18-9-28-32(12-18)14-20-13-31-11-17(16-1-2-16)3-6-23(31)29-20/h3-7,9,11-13,15-16H,1-2,8,10,14,25H2,(H,26,33)
InChIKeyBKIVYTHWLABWQQ-UHFFFAOYSA-N
XLogP2.45
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139498973) is N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is NC1=CCn2cnc(CNC(=O)c3cnn(Cc4cn5cc(C6CC6)ccc5n4)c3)c2C=C1.
What is the InChIKey of N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is BKIVYTHWLABWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c25-19-4-5-22-21(27-15-30(22)8-7-19)10-26-24(33)18-9-28-32(12-18)14-20-13-31-11-17(16-1-2-16)3-6-23(31)29-20/h3-7,9,11-13,15-16H,1-2,8,10,14,25H2,(H,26,33).
What are the key properties of N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-amino-5H-imidazo[1,5-a]azepin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139498973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).