N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine

C18H29N5 — CID 117162135

IUPACN,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCC(C)N1CCCC(c2nc3cccnc3n2CCN(C)C)C1
InChIInChI=1S/C18H29N5/c1-14(2)22-10-6-7-15(13-22)17-20-16-8-5-9-19-18(16)23(17)12-11-21(3)4/h5,8-9,14-15H,6-7,10-13H2,1-4H3
InChIKeyVPEGSTFAFOXVNH-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.58
Rot. Bonds5

About N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine

N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 117162135) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID117162135
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC NameN,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCC(C)N1CCCC(c2nc3cccnc3n2CCN(C)C)C1
InChIInChI=1S/C18H29N5/c1-14(2)22-10-6-7-15(13-22)17-20-16-8-5-9-19-18(16)23(17)12-11-21(3)4/h5,8-9,14-15H,6-7,10-13H2,1-4H3
InChIKeyVPEGSTFAFOXVNH-UHFFFAOYSA-N
XLogP2.58
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117160610
2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117161760
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117160379
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 95110139
3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162140
3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 117162135) is N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is CC(C)N1CCCC(c2nc3cccnc3n2CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is VPEGSTFAFOXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-14(2)22-10-6-7-15(13-22)17-20-16-8-5-9-19-18(16)23(17)12-11-21(3)4/h5,8-9,14-15H,6-7,10-13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 315.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 117162135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).