2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine

C29H32N4 — CID 54036956

IUPAC2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=C(N(C)C)CC2)cc1
InChIInChI=1S/C29H32N4/c1-6-27-31-28-19(2)17-20(3)30-29(28)33(27)18-21-11-13-22(14-12-21)23-9-7-8-10-24(23)25-15-16-26(25)32(4)5/h7-14,17H,6,15-16,18H2,1-5H3
InChIKeyLJQCEHYSBFVZNK-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.39
Rot. Bonds6

About 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine

2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine (PubChem CID 54036956) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine.

Molecular Properties

Compound Name2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine
PubChem CID54036956
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC Name2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=C(N(C)C)CC2)cc1
InChIInChI=1S/C29H32N4/c1-6-27-31-28-19(2)17-20(3)30-29(28)33(27)18-21-11-13-22(14-12-21)23-9-7-8-10-24(23)25-15-16-26(25)32(4)5/h7-14,17H,6,15-16,18H2,1-5H3
InChIKeyLJQCEHYSBFVZNK-UHFFFAOYSA-N
XLogP6.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135955631
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166
3-[[4-[2-[benzoyl(sulfino)amino]phenyl]phenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
CID 21470210
1-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-oxoindene-2-carboxylic acid
CID 11975311
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
2-ethyl-3-[[4-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 154422399
2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide
CID 145432665
2-(dimethylamino)-4-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid
CID 11442998
N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylbutanamide
CID 10028545
5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzenesulfonamide
CID 54442569
N-[[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenylmethylidene]hydroxylamine
CID 86615033
2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
CID 154422383

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine?
The IUPAC name of 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine (CID 54036956) is 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine.
What is the SMILES notation for 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine?
The canonical SMILES for 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=C(N(C)C)CC2)cc1.
What is the InChIKey of 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine?
The InChIKey is LJQCEHYSBFVZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4/c1-6-27-31-28-19(2)17-20(3)30-29(28)33(27)18-21-11-13-22(14-12-21)23-9-7-8-10-24(23)25-15-16-26(25)32(4)5/h7-14,17H,6,15-16,18H2,1-5H3.
What are the key properties of 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine?
2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine has a molecular weight of 436.60 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-N,N-dimethylcyclobuten-1-amine is sourced from PubChem (CID 54036956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).