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

C18H27N5 — CID 117160680

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCC(C)N1CCC(c2nc3cccnc3n2C2CCNC2)CC1
InChIInChI=1S/C18H27N5/c1-13(2)22-10-6-14(7-11-22)17-21-16-4-3-8-20-18(16)23(17)15-5-9-19-12-15/h3-4,8,13-15,19H,5-7,9-12H2,1-2H3
InChIKeyKNCHHZBJPGMWNS-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.55
Rot. Bonds3

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

2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117160680) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117160680
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
SMILESCC(C)N1CCC(c2nc3cccnc3n2C2CCNC2)CC1
InChIInChI=1S/C18H27N5/c1-13(2)22-10-6-14(7-11-22)17-21-16-4-3-8-20-18(16)23(17)15-5-9-19-12-15/h3-4,8,13-15,19H,5-7,9-12H2,1-2H3
InChIKeyKNCHHZBJPGMWNS-UHFFFAOYSA-N
XLogP2.55
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-4-yl-2-(1-propan-2-ylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162235
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032980
2-(furan-2-yl)-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032979
3-methyl-2-(3-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 114278512
2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117163622
3-cyclopropyl-2-(1-propan-2-ylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163101
3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117160379
N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117160610

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine (CID 117160680) is 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine is CC(C)N1CCC(c2nc3cccnc3n2C2CCNC2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is KNCHHZBJPGMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13(2)22-10-6-14(7-11-22)17-21-16-4-3-8-20-18(16)23(17)15-5-9-19-12-15/h3-4,8,13-15,19H,5-7,9-12H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine?
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).