(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone

C24H29N5O — CID 176500830

IUPAC(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2cnc3c(c2)ncn3C2CC2)cc1
InChIInChI=1S/C24H29N5O/c1-27(2)15-17-6-8-18(9-7-17)22-5-3-4-12-28(22)24(30)19-13-21-23(25-14-19)29(16-26-21)20-10-11-20/h6-9,13-14,16,20,22H,3-5,10-12,15H2,1-2H3
InChIKeyYHMCMRVPIFXWLV-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.20
Rot. Bonds5

About (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone

(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone (PubChem CID 176500830) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
PubChem CID176500830
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2cnc3c(c2)ncn3C2CC2)cc1
InChIInChI=1S/C24H29N5O/c1-27(2)15-17-6-8-18(9-7-17)22-5-3-4-12-28(22)24(30)19-13-21-23(25-14-19)29(16-26-21)20-10-11-20/h6-9,13-14,16,20,22H,3-5,10-12,15H2,1-2H3
InChIKeyYHMCMRVPIFXWLV-UHFFFAOYSA-N
XLogP4.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 70764712
3-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176504133
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 126436777
[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506235
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
1-(3-cyclopentylimidazo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 175644781
4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 125179783
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 118763717

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The IUPAC name of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone (CID 176500830) is (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone is CN(C)Cc1ccc(C2CCCCN2C(=O)c2cnc3c(c2)ncn3C2CC2)cc1.
What is the InChIKey of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The InChIKey is YHMCMRVPIFXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-27(2)15-17-6-8-18(9-7-17)22-5-3-4-12-28(22)24(30)19-13-21-23(25-14-19)29(16-26-21)20-10-11-20/h6-9,13-14,16,20,22H,3-5,10-12,15H2,1-2H3.
What are the key properties of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 176500830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).