3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol

C25H35N5O — CID 153396634

IUPAC3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
SMILESCCCCc1nc2cc(CN3CCC(c4cccc(O)c4)(N(C)C)CC3)cnc2n1C
InChIInChI=1S/C25H35N5O/c1-5-6-10-23-27-22-15-19(17-26-24(22)29(23)4)18-30-13-11-25(12-14-30,28(2)3)20-8-7-9-21(31)16-20/h7-9,15-17,31H,5-6,10-14,18H2,1-4H3
InChIKeyRQNQSTMHYKBIOJ-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.07
Rot. Bonds7

About 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol

3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol (PubChem CID 153396634) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
PubChem CID153396634
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
SMILESCCCCc1nc2cc(CN3CCC(c4cccc(O)c4)(N(C)C)CC3)cnc2n1C
InChIInChI=1S/C25H35N5O/c1-5-6-10-23-27-22-15-19(17-26-24(22)29(23)4)18-30-13-11-25(12-14-30,28(2)3)20-8-7-9-21(31)16-20/h7-9,15-17,31H,5-6,10-14,18H2,1-4H3
InChIKeyRQNQSTMHYKBIOJ-UHFFFAOYSA-N
XLogP4.07
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol with MolForge

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Related Compounds

3-[1-[(2-butyl-3,7-dimethylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
CID 153396653
3-[4-(dimethylamino)-1-[[3-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]quinoxalin-6-yl]methyl]piperidin-4-yl]phenol
CID 155408493
3-[4-(dimethylamino)-1-[[3-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]quinolin-7-yl]methyl]piperidin-4-yl]phenol
CID 155408351
2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine
CID 146328349
1-[[2-[(1S)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-methylimidazo[4,5-b]pyridin-6-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 146328290
3-[4-(dimethylamino)-1-[[2-[1-(3,5-dimethylpiperazin-1-yl)butyl]quinolin-6-yl]methyl]piperidin-4-yl]phenol
CID 155416530
3-[4-(dimethylamino)-1-[[2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]-1-ethylbenzimidazol-5-yl]methyl]piperidin-4-yl]phenol
CID 146659822
3-[4-(dimethylamino)-1-[2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylimidazo[4,5-b]pyridin-6-yl]piperidin-4-yl]phenol
CID 146328438
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanamine
CID 94758182
3-[4-(dimethylamino)-1-[1-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]benzimidazol-5-yl]piperidin-4-yl]phenol
CID 146626874

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol (CID 153396634) is 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol is CCCCc1nc2cc(CN3CCC(c4cccc(O)c4)(N(C)C)CC3)cnc2n1C.
What is the InChIKey of 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
The InChIKey is RQNQSTMHYKBIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-5-6-10-23-27-22-15-19(17-26-24(22)29(23)4)18-30-13-11-25(12-14-30,28(2)3)20-8-7-9-21(31)16-20/h7-9,15-17,31H,5-6,10-14,18H2,1-4H3.
What are the key properties of 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol?
3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol has a molecular weight of 421.59 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol is sourced from PubChem (CID 153396634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).