[(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate

C30H40FN5O4 — CID 70957661

IUPAC[(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
SMILESCc1cc(C(=O)N2CC3(CCN(C4CCCCC(NC(=O)O[C@@H]5CCOC5)C4)CC3)c3cc(F)ccc32)nn1C
InChIInChI=1S/C30H40FN5O4/c1-20-15-26(33-34(20)2)28(37)36-19-30(25-16-21(31)7-8-27(25)36)10-12-35(13-11-30)23-6-4-3-5-22(17-23)32-29(38)40-24-9-14-39-18-24/h7-8,15-16,22-24H,3-6,9-14,17-19H2,1-2H3,(H,32,38)/t22?,23?,24-/m1/s1
InChIKeyMAVZCPXIZQLMDI-KXTRFFEISA-N
MW553.68 g/mol
LogP4.08
Rot. Bonds4

About [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate

[(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate (PubChem CID 70957661) has the molecular formula C30H40FN5O4 and a molecular weight of 553.68 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
PubChem CID70957661
Molecular FormulaC30H40FN5O4
Molecular Weight553.68 g/mol
Exact Mass553.31
IUPAC Name[(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
SMILESCc1cc(C(=O)N2CC3(CCN(C4CCCCC(NC(=O)O[C@@H]5CCOC5)C4)CC3)c3cc(F)ccc32)nn1C
InChIInChI=1S/C30H40FN5O4/c1-20-15-26(33-34(20)2)28(37)36-19-30(25-16-21(31)7-8-27(25)36)10-12-35(13-11-30)23-6-4-3-5-22(17-23)32-29(38)40-24-9-14-39-18-24/h7-8,15-16,22-24H,3-6,9-14,17-19H2,1-2H3,(H,32,38)/t22?,23?,24-/m1/s1
InChIKeyMAVZCPXIZQLMDI-KXTRFFEISA-N
XLogP4.08
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.68
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate 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

molecular hydrogen;[(3R)-oxolan-3-yl] N-[3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
CID 158162011
[(3R)-oxolan-3-yl] 5-fluoro-1'-[3-(propan-2-yloxycarbonylamino)cycloheptyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 70957728
ethyl N-[3-[5-fluoro-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
CID 70957649
methyl 1'-[3-(ethoxycarbonylamino)cycloheptyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 70957630
methyl 5-fluoro-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59433733
ethyl N-[3-[5-fluoro-1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
CID 70957679
oxolan-3-yl 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59613139
molecular hydrogen;[(3S)-oxolan-3-yl] 5-fluoro-1'-(9-propan-2-yloxycarbonyl-9-azabicyclo[3.3.1]nonan-3-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 157088200
[(3S)-oxolan-3-yl] 3-[2-(1,5-dimethylpyrazole-3-carbonyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58758582
[(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59614166
molecular hydrogen;[(3R)-oxolan-3-yl] 5-fluoro-1'-(2-propan-2-yloxycarbonyl-2-azatricyclo[4.3.0.01,3]nonan-8-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 160708585
(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
CID 23764734

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate?
The IUPAC name of [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate (CID 70957661) is [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate.
What is the SMILES notation for [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate?
The canonical SMILES for [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate is Cc1cc(C(=O)N2CC3(CCN(C4CCCCC(NC(=O)O[C@@H]5CCOC5)C4)CC3)c3cc(F)ccc32)nn1C.
What is the InChIKey of [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate?
The InChIKey is MAVZCPXIZQLMDI-KXTRFFEISA-N. The full InChI is InChI=1S/C30H40FN5O4/c1-20-15-26(33-34(20)2)28(37)36-19-30(25-16-21(31)7-8-27(25)36)10-12-35(13-11-30)23-6-4-3-5-22(17-23)32-29(38)40-24-9-14-39-18-24/h7-8,15-16,22-24H,3-6,9-14,17-19H2,1-2H3,(H,32,38)/t22?,23?,24-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate?
[(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate has a molecular weight of 553.68 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate is sourced from PubChem (CID 70957661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).