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

C20H25N5O — CID 110245568

IUPAC3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc2[nH]c(C3CCN(C(=O)CCn4nccc4C)CC3)cc2c1
InChIInChI=1S/C20H25N5O/c1-14-11-17-12-18(23-20(17)21-13-14)16-4-8-24(9-5-16)19(26)6-10-25-15(2)3-7-22-25/h3,7,11-13,16H,4-6,8-10H2,1-2H3,(H,21,23)
InChIKeyBFKKXOHKPNCNEL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.17
Rot. Bonds4

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

3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110245568) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110245568
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc2[nH]c(C3CCN(C(=O)CCn4nccc4C)CC3)cc2c1
InChIInChI=1S/C20H25N5O/c1-14-11-17-12-18(23-20(17)21-13-14)16-4-8-24(9-5-16)19(26)6-10-25-15(2)3-7-22-25/h3,7,11-13,16H,4-6,8-10H2,1-2H3,(H,21,23)
InChIKeyBFKKXOHKPNCNEL-UHFFFAOYSA-N
XLogP3.17
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one (CID 110245568) is 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one is Cc1cnc2[nH]c(C3CCN(C(=O)CCn4nccc4C)CC3)cc2c1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BFKKXOHKPNCNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-11-17-12-18(23-20(17)21-13-14)16-4-8-24(9-5-16)19(26)6-10-25-15(2)3-7-22-25/h3,7,11-13,16H,4-6,8-10H2,1-2H3,(H,21,23).
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one?
3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 351.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110245568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).