1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile

C27H23ClFN5O3 — CID 153001096

IUPAC1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CC(=O)CN2C(=O)C3(CCN(C(=O)c4ccc5[nH]ncc5c4)CC3)c3c2ccc(F)c3Cl)CC1
InChIInChI=1S/C27H23ClFN5O3/c28-23-19(29)2-4-21-22(23)27(25(37)34(21)14-18(35)12-26(15-30)5-6-26)7-9-33(10-8-27)24(36)16-1-3-20-17(11-16)13-31-32-20/h1-4,11,13H,5-10,12,14H2,(H,31,32)
InChIKeyUYEDFLLONDYGAH-UHFFFAOYSA-N
MW519.96 g/mol
LogP4.14
Rot. Bonds5

About 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile

1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile (PubChem CID 153001096) has the molecular formula C27H23ClFN5O3 and a molecular weight of 519.96 g/mol. Its IUPAC name is 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
PubChem CID153001096
Molecular FormulaC27H23ClFN5O3
Molecular Weight519.96 g/mol
Exact Mass519.15
IUPAC Name1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CC(=O)CN2C(=O)C3(CCN(C(=O)c4ccc5[nH]ncc5c4)CC3)c3c2ccc(F)c3Cl)CC1
InChIInChI=1S/C27H23ClFN5O3/c28-23-19(29)2-4-21-22(23)27(25(37)34(21)14-18(35)12-26(15-30)5-6-26)7-9-33(10-8-27)24(36)16-1-3-20-17(11-16)13-31-32-20/h1-4,11,13H,5-10,12,14H2,(H,31,32)
InChIKeyUYEDFLLONDYGAH-UHFFFAOYSA-N
XLogP4.14
TPSA110.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.96
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile 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 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile (CID 153001096) is 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile is N#CC1(CC(=O)CN2C(=O)C3(CCN(C(=O)c4ccc5[nH]ncc5c4)CC3)c3c2ccc(F)c3Cl)CC1.
What is the InChIKey of 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
The InChIKey is UYEDFLLONDYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN5O3/c28-23-19(29)2-4-21-22(23)27(25(37)34(21)14-18(35)12-26(15-30)5-6-26)7-9-33(10-8-27)24(36)16-1-3-20-17(11-16)13-31-32-20/h1-4,11,13H,5-10,12,14H2,(H,31,32).
What are the key properties of 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile has a molecular weight of 519.96 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 153001096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).