N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine

C31H47N7 — CID 146328349

IUPACN,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine
SMILESCCC[C@H](c1nc2cc(CN3CCC(c4ccccc4)(N(C)C)CC3)cnc2n1CCC)N1CCNCC1
InChIInChI=1S/C31H47N7/c1-5-10-28(37-20-15-32-16-21-37)30-34-27-22-25(23-33-29(27)38(30)17-6-2)24-36-18-13-31(14-19-36,35(3)4)26-11-8-7-9-12-26/h7-9,11-12,22-23,28,32H,5-6,10,13-21,24H2,1-4H3/t28-/m1/s1
InChIKeyXMWZLYXTVQJWIR-MUUNZHRXSA-N
MW517.77 g/mol
LogP4.64
Rot. Bonds10

About N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine

N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine (PubChem CID 146328349) has the molecular formula C31H47N7 and a molecular weight of 517.77 g/mol. Its IUPAC name is N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine
PubChem CID146328349
Molecular FormulaC31H47N7
Molecular Weight517.77 g/mol
Exact Mass517.39
IUPAC NameN,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine
SMILESCCC[C@H](c1nc2cc(CN3CCC(c4ccccc4)(N(C)C)CC3)cnc2n1CCC)N1CCNCC1
InChIInChI=1S/C31H47N7/c1-5-10-28(37-20-15-32-16-21-37)30-34-27-22-25(23-33-29(27)38(30)17-6-2)24-36-18-13-31(14-19-36,35(3)4)26-11-8-7-9-12-26/h7-9,11-12,22-23,28,32H,5-6,10,13-21,24H2,1-4H3/t28-/m1/s1
InChIKeyXMWZLYXTVQJWIR-MUUNZHRXSA-N
XLogP4.64
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

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
1-[[2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-1-ethylbenzimidazol-5-yl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 146626870
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-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
CID 153396634
3-[4-(dimethylamino)-1-[[3-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]quinoxalin-6-yl]methyl]piperidin-4-yl]phenol
CID 155408493
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
3-[4-(dimethylamino)-1-[[3-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]quinolin-7-yl]methyl]piperidin-4-yl]phenol
CID 155408351
6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine
CID 146328275
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-[1-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]benzimidazol-5-yl]piperidin-4-yl]phenol
CID 146626874
3-[4-(dimethylamino)-1-[[2-[1-(3,5-dimethylpiperazin-1-yl)butyl]quinolin-6-yl]methyl]piperidin-4-yl]phenol
CID 155416530
6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine
CID 146328263

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine?
The IUPAC name of 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) is N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine is CCC[C@H](c1nc2cc(CN3CCC(c4ccccc4)(N(C)C)CC3)cnc2n1CCC)N1CCNCC1.
What is the InChIKey of N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine?
The InChIKey is XMWZLYXTVQJWIR-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H47N7/c1-5-10-28(37-20-15-32-16-21-37)30-34-27-22-25(23-33-29(27)38(30)17-6-2)24-36-18-13-31(14-19-36,35(3)4)26-11-8-7-9-12-26/h7-9,11-12,22-23,28,32H,5-6,10,13-21,24H2,1-4H3/t28-/m1/s1.
What are the key properties of N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine?
N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine has a molecular weight of 517.77 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenyl-1-[[2-[(1R)-1-piperazin-1-ylbutyl]-3-propylimidazo[4,5-b]pyridin-6-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 146328349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).