N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide

C27H28N8O2 — CID 10006024

IUPACN,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide
SMILESCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H28N8O2/c1-4-7-23-28-22-14-15-34(17-24(36)33(2)3)27(37)25(22)35(23)16-18-10-12-19(13-11-18)20-8-5-6-9-21(20)26-29-31-32-30-26/h5-6,8-15H,4,7,16-17H2,1-3H3,(H,29,30,31,32)
InChIKeyXSVYVIWXYIVSOW-UHFFFAOYSA-N
MW496.58 g/mol
LogP3.13
Rot. Bonds8

About N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide

N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide (PubChem CID 10006024) has the molecular formula C27H28N8O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide
PubChem CID10006024
Molecular FormulaC27H28N8O2
Molecular Weight496.58 g/mol
Exact Mass496.23
IUPAC NameN,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide
SMILESCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H28N8O2/c1-4-7-23-28-22-14-15-34(17-24(36)33(2)3)27(37)25(22)35(23)16-18-10-12-19(13-11-18)20-8-5-6-9-21(20)26-29-31-32-30-26/h5-6,8-15H,4,7,16-17H2,1-3H3,(H,29,30,31,32)
InChIKeyXSVYVIWXYIVSOW-UHFFFAOYSA-N
XLogP3.13
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide (CID 10006024) is N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide is CCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide?
The InChIKey is XSVYVIWXYIVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2/c1-4-7-23-28-22-14-15-34(17-24(36)33(2)3)27(37)25(22)35(23)16-18-10-12-19(13-11-18)20-8-5-6-9-21(20)26-29-31-32-30-26/h5-6,8-15H,4,7,16-17H2,1-3H3,(H,29,30,31,32).
What are the key properties of N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide?
N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide has a molecular weight of 496.58 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 10006024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).