N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine

C25H21ClN8 — CID 118482444

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESClc1ccc2nc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)[nH]c2c1
InChIInChI=1S/C25H21ClN8/c26-19-6-7-22-23(12-19)31-24(30-22)13-28-25-20-16-34(32-21(20)8-10-27-25)15-18-4-2-17(3-5-18)14-33-11-1-9-29-33/h1-12,16H,13-15H2,(H,27,28)(H,30,31)
InChIKeyZHIXAZIHZDKXRG-UHFFFAOYSA-N
MW468.95 g/mol
LogP4.87
Rot. Bonds7

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 118482444) has the molecular formula C25H21ClN8 and a molecular weight of 468.95 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID118482444
Molecular FormulaC25H21ClN8
Molecular Weight468.95 g/mol
Exact Mass468.16
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESClc1ccc2nc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)[nH]c2c1
InChIInChI=1S/C25H21ClN8/c26-19-6-7-22-23(12-19)31-24(30-22)13-28-25-20-16-34(32-21(20)8-10-27-25)15-18-4-2-17(3-5-18)14-33-11-1-9-29-33/h1-12,16H,13-15H2,(H,27,28)(H,30,31)
InChIKeyZHIXAZIHZDKXRG-UHFFFAOYSA-N
XLogP4.87
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine (CID 118482444) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine is Clc1ccc2nc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)[nH]c2c1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is ZHIXAZIHZDKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN8/c26-19-6-7-22-23(12-19)31-24(30-22)13-28-25-20-16-34(32-21(20)8-10-27-25)15-18-4-2-17(3-5-18)14-33-11-1-9-29-33/h1-12,16H,13-15H2,(H,27,28)(H,30,31).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 468.95 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 118482444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).