3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one

C18H22N6O — CID 146091189

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCn1cc(C2CCCCN2C(=O)CCc2nc3ncccc3[nH]2)cn1
InChIInChI=1S/C18H22N6O/c1-23-12-13(11-20-23)15-6-2-3-10-24(15)17(25)8-7-16-21-14-5-4-9-19-18(14)22-16/h4-5,9,11-12,15H,2-3,6-8,10H2,1H3,(H,19,21,22)
InChIKeyCRTFUQCFDCBQAG-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.38
Rot. Bonds4

About 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one

3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 146091189) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
PubChem CID146091189
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCn1cc(C2CCCCN2C(=O)CCc2nc3ncccc3[nH]2)cn1
InChIInChI=1S/C18H22N6O/c1-23-12-13(11-20-23)15-6-2-3-10-24(15)17(25)8-7-16-21-14-5-4-9-19-18(14)22-16/h4-5,9,11-12,15H,2-3,6-8,10H2,1H3,(H,19,21,22)
InChIKeyCRTFUQCFDCBQAG-UHFFFAOYSA-N
XLogP2.38
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one (CID 146091189) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one is Cn1cc(C2CCCCN2C(=O)CCc2nc3ncccc3[nH]2)cn1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CRTFUQCFDCBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-12-13(11-20-23)15-6-2-3-10-24(15)17(25)8-7-16-21-14-5-4-9-19-18(14)22-16/h4-5,9,11-12,15H,2-3,6-8,10H2,1H3,(H,19,21,22).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 338.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 146091189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).