N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C28H29N7O — CID 171090434

IUPACN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2nc(Cn3cc(C(=O)NCc4c(C)cc5c(N)nccc5c4C)cn3)cn2cc1C1CC1
InChIInChI=1S/C28H29N7O/c1-16-8-23-22(6-7-30-27(23)29)18(3)24(16)11-31-28(36)20-10-32-35(12-20)14-21-13-34-15-25(19-4-5-19)17(2)9-26(34)33-21/h6-10,12-13,15,19H,4-5,11,14H2,1-3H3,(H2,29,30)(H,31,36)
InChIKeyPOHXHJZFNDMUDW-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.44
Rot. Bonds6

About N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 171090434) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID171090434
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC NameN-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2nc(Cn3cc(C(=O)NCc4c(C)cc5c(N)nccc5c4C)cn3)cn2cc1C1CC1
InChIInChI=1S/C28H29N7O/c1-16-8-23-22(6-7-30-27(23)29)18(3)24(16)11-31-28(36)20-10-32-35(12-20)14-21-13-34-15-25(19-4-5-19)17(2)9-26(34)33-21/h6-10,12-13,15,19H,4-5,11,14H2,1-3H3,(H2,29,30)(H,31,36)
InChIKeyPOHXHJZFNDMUDW-UHFFFAOYSA-N
XLogP4.44
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 171090434) is N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1cc2nc(Cn3cc(C(=O)NCc4c(C)cc5c(N)nccc5c4C)cn3)cn2cc1C1CC1.
What is the InChIKey of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is POHXHJZFNDMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-16-8-23-22(6-7-30-27(23)29)18(3)24(16)11-31-28(36)20-10-32-35(12-20)14-21-13-34-15-25(19-4-5-19)17(2)9-26(34)33-21/h6-10,12-13,15,19H,4-5,11,14H2,1-3H3,(H2,29,30)(H,31,36).
What are the key properties of N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171090434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).