4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C19H21ClF2N4O — CID 130390484

IUPAC4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILES[H]/N=C/C(CN1Cc2c(ccnc2Cl)C1=O)C1C(C)=C1N1CCC(F)(F)CC1
InChIInChI=1S/C19H21ClF2N4O/c1-11-15(16(11)25-6-3-19(21,22)4-7-25)12(8-23)9-26-10-14-13(18(26)27)2-5-24-17(14)20/h2,5,8,12,15,23H,3-4,6-7,9-10H2,1H3/b23-8+
InChIKeyZWGDRFGCHHPRBK-LIMNOBDPSA-N
MW394.85 g/mol
LogP3.59
Rot. Bonds5

About 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 130390484) has the molecular formula C19H21ClF2N4O and a molecular weight of 394.85 g/mol. Its IUPAC name is 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID130390484
Molecular FormulaC19H21ClF2N4O
Molecular Weight394.85 g/mol
Exact Mass394.14
IUPAC Name4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILES[H]/N=C/C(CN1Cc2c(ccnc2Cl)C1=O)C1C(C)=C1N1CCC(F)(F)CC1
InChIInChI=1S/C19H21ClF2N4O/c1-11-15(16(11)25-6-3-19(21,22)4-7-25)12(8-23)9-26-10-14-13(18(26)27)2-5-24-17(14)20/h2,5,8,12,15,23H,3-4,6-7,9-10H2,1H3/b23-8+
InChIKeyZWGDRFGCHHPRBK-LIMNOBDPSA-N
XLogP3.59
TPSA60.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-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 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 130390484) is 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one is [H]/N=C/C(CN1Cc2c(ccnc2Cl)C1=O)C1C(C)=C1N1CCC(F)(F)CC1.
What is the InChIKey of 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZWGDRFGCHHPRBK-LIMNOBDPSA-N. The full InChI is InChI=1S/C19H21ClF2N4O/c1-11-15(16(11)25-6-3-19(21,22)4-7-25)12(8-23)9-26-10-14-13(18(26)27)2-5-24-17(14)20/h2,5,8,12,15,23H,3-4,6-7,9-10H2,1H3/b23-8+.
What are the key properties of 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 394.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[2-(4,4-difluoropiperidin-1-yl)-3-methylcycloprop-2-en-1-yl]-3-iminopropyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 130390484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).