2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine

C14H20N4 — CID 117166413

IUPAC2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cccnc2n1CC1CCCN1
InChIInChI=1S/C14H20N4/c1-10(2)13-17-12-6-4-8-16-14(12)18(13)9-11-5-3-7-15-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3
InChIKeySOKBSAMWFHWUSG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds3

About 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine

2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117166413) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117166413
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cccnc2n1CC1CCCN1
InChIInChI=1S/C14H20N4/c1-10(2)13-17-12-6-4-8-16-14(12)18(13)9-11-5-3-7-15-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3
InChIKeySOKBSAMWFHWUSG-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117166385
2-propan-2-yl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166431
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910
2-(5-chlorofuran-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164355
2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164361
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166348
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 102819817

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117166413) is 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is CC(C)c1nc2cccnc2n1CC1CCCN1.
What is the InChIKey of 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is SOKBSAMWFHWUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)13-17-12-6-4-8-16-14(12)18(13)9-11-5-3-7-15-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 244.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).