3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride

C18H22ClN5O — CID 118741797

IUPAC3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCc1ccnn1CCC(=O)N1CCCC1c1cc2cccnc2[nH]1.Cl
InChIInChI=1S/C18H21N5O.ClH/c1-13-6-9-20-23(13)11-7-17(24)22-10-3-5-16(22)15-12-14-4-2-8-19-18(14)21-15;/h2,4,6,8-9,12,16H,3,5,7,10-11H2,1H3,(H,19,21);1H
InChIKeyNBVFMWYHRULECY-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.24
Rot. Bonds4

About 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride

3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride (PubChem CID 118741797) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
PubChem CID118741797
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCc1ccnn1CCC(=O)N1CCCC1c1cc2cccnc2[nH]1.Cl
InChIInChI=1S/C18H21N5O.ClH/c1-13-6-9-20-23(13)11-7-17(24)22-10-3-5-16(22)15-12-14-4-2-8-19-18(14)21-15;/h2,4,6,8-9,12,16H,3,5,7,10-11H2,1H3,(H,19,21);1H
InChIKeyNBVFMWYHRULECY-UHFFFAOYSA-N
XLogP3.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride 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-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride (CID 118741797) is 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride is Cc1ccnn1CCC(=O)N1CCCC1c1cc2cccnc2[nH]1.Cl.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is NBVFMWYHRULECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.ClH/c1-13-6-9-20-23(13)11-7-17(24)22-10-3-5-16(22)15-12-14-4-2-8-19-18(14)21-15;/h2,4,6,8-9,12,16H,3,5,7,10-11H2,1H3,(H,19,21);1H.
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.24, 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-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 118741797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).