indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C17H18N4O — CID 126792701

IUPACindolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)c3cc4ccccn4c3)C2)cn1
InChIInChI=1S/C17H18N4O/c1-19-10-15(9-18-19)13-5-7-21(11-13)17(22)14-8-16-4-2-3-6-20(16)12-14/h2-4,6,8-10,12-13H,5,7,11H2,1H3
InChIKeyKTBCFBGVEHIABI-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.30
Rot. Bonds2

About indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 126792701) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameindolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID126792701
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Nameindolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)c3cc4ccccn4c3)C2)cn1
InChIInChI=1S/C17H18N4O/c1-19-10-15(9-18-19)13-5-7-21(11-13)17(22)14-8-16-4-2-3-6-20(16)12-14/h2-4,6,8-10,12-13H,5,7,11H2,1H3
InChIKeyKTBCFBGVEHIABI-UHFFFAOYSA-N
XLogP2.30
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 120581501
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(indolizin-2-yl)methanone
CID 136525720
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone
CID 124592361
indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594675
2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 120597079
(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 134160568
[4-fluoro-2-(trifluoromethyl)phenyl]-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124571570
(2-hydroxy-4-nitrophenyl)-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99855955
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
2-chloro-N-[2-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]ethyl]benzamide
CID 111741451

Frequently Asked Questions

What is the IUPAC name of indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 126792701) is indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)c3cc4ccccn4c3)C2)cn1.
What is the InChIKey of indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KTBCFBGVEHIABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-19-10-15(9-18-19)13-5-7-21(11-13)17(22)14-8-16-4-2-3-6-20(16)12-14/h2-4,6,8-10,12-13H,5,7,11H2,1H3.
What are the key properties of indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 294.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126792701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).