2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine

C18H28N4 — CID 117166431

IUPAC2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cccnc2n1CC1CCCCN1C(C)C
InChIInChI=1S/C18H28N4/c1-13(2)17-20-16-9-7-10-19-18(16)22(17)12-15-8-5-6-11-21(15)14(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3
InChIKeyAYYQLUFAQCTZSI-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.82
Rot. Bonds4

About 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine

2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117166431) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117166431
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cccnc2n1CC1CCCCN1C(C)C
InChIInChI=1S/C18H28N4/c1-13(2)17-20-16-9-7-10-19-18(16)22(17)12-15-8-5-6-11-21(15)14(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3
InChIKeyAYYQLUFAQCTZSI-UHFFFAOYSA-N
XLogP3.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117165786
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166413
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166348
3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163296
3-methyl-2-(1-propan-2-ylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163034
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
2-(furan-2-yl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164375
3-cyclopropyl-2-(1-propan-2-ylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163101
2-[3-(1-propan-2-ylpiperidin-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159884
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 117166431) is 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine is CC(C)c1nc2cccnc2n1CC1CCCCN1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is AYYQLUFAQCTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-13(2)17-20-16-9-7-10-19-18(16)22(17)12-15-8-5-6-11-21(15)14(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine?
2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 300.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).