3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide

C30H29N7O — CID 53262499

IUPAC3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1
InChIInChI=1S/C30H29N7O/c1-36(2)29(38)20-7-3-6-19(18-20)24-13-14-25-28(34-24)37(27(35-25)23-8-4-17-33-26(23)31)22-11-9-21(10-12-22)30(32)15-5-16-30/h3-4,6-14,17-18H,5,15-16,32H2,1-2H3,(H2,31,33)
InChIKeyYDBPXVBEEKTPAD-UHFFFAOYSA-N
MW503.61 g/mol
LogP4.77
Rot. Bonds5

About 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide

3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 53262499) has the molecular formula C30H29N7O and a molecular weight of 503.61 g/mol. Its IUPAC name is 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID53262499
Molecular FormulaC30H29N7O
Molecular Weight503.61 g/mol
Exact Mass503.24
IUPAC Name3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1
InChIInChI=1S/C30H29N7O/c1-36(2)29(38)20-7-3-6-19(18-20)24-13-14-25-28(34-24)37(27(35-25)23-8-4-17-33-26(23)31)22-11-9-21(10-12-22)30(32)15-5-16-30/h3-4,6-14,17-18H,5,15-16,32H2,1-2H3,(H2,31,33)
InChIKeyYDBPXVBEEKTPAD-UHFFFAOYSA-N
XLogP4.77
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide (CID 53262499) is 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.
What is the InChIKey of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is YDBPXVBEEKTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O/c1-36(2)29(38)20-7-3-6-19(18-20)24-13-14-25-28(34-24)37(27(35-25)23-8-4-17-33-26(23)31)22-11-9-21(10-12-22)30(32)15-5-16-30/h3-4,6-14,17-18H,5,15-16,32H2,1-2H3,(H2,31,33).
What are the key properties of 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide?
3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 503.61 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 53262499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).