bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite

C55H67Cl2FN10O6S — CID 163782921

IUPACbis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite
SMILESCSF.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/2C27H32ClN5O3.CH3FS/c2*28-20-8-4-6-17-13-21(32-23(17)20)26(36)33-16-27(9-2-1-3-10-27)14-22(33)25(35)31-19(15-29)12-18-7-5-11-30-24(18)34;1-3-2/h2*4,6,8,13,18-19,22,32H,1-3,5,7,9-12,14,16H2,(H,30,34)(H,31,35);1H3/t2*18-,19-,22?;/m00./s1
InChIKeyMQCVZVSFJCKIEL-XNYFXONRSA-N
MW1086.18 g/mol
LogP9.06
Rot. Bonds10

About bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite

bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite (PubChem CID 163782921) has the molecular formula C55H67Cl2FN10O6S and a molecular weight of 1086.18 g/mol. Its IUPAC name is bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite.

Molecular Properties

Compound Namebis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite
PubChem CID163782921
Molecular FormulaC55H67Cl2FN10O6S
Molecular Weight1086.18 g/mol
Exact Mass1084.43
IUPAC Namebis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite
SMILESCSF.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/2C27H32ClN5O3.CH3FS/c2*28-20-8-4-6-17-13-21(32-23(17)20)26(36)33-16-27(9-2-1-3-10-27)14-22(33)25(35)31-19(15-29)12-18-7-5-11-30-24(18)34;1-3-2/h2*4,6,8,13,18-19,22,32H,1-3,5,7,9-12,14,16H2,(H,30,34)(H,31,35);1H3/t2*18-,19-,22?;/m00./s1
InChIKeyMQCVZVSFJCKIEL-XNYFXONRSA-N
XLogP9.06
TPSA236.18 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.18
LogP ≤ 59.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite 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)-2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide
CID 166611588
WO2021250648, Example 52
CID 162396418
US11352363, Example 76
CID 163373060
5,7-dichloro-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indole-2-carboxamide
CID 165414298
(3R)-2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-8,8-difluoro-2-azaspiro[4.5]decane-3-carboxamide
CID 166611587
2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide
CID 157156035
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 158711422
6-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-6-azaspiro[3.4]octane-7-carboxamide
CID 162396320
(7S)-6-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-6-azaspiro[3.4]octane-7-carboxamide
CID 163738873
(3S)-2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide
CID 163941910
(7R)-6-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide
CID 166611574
(7S)-6-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-6-azaspiro[3.4]octane-7-carboxamide
CID 166611575

Frequently Asked Questions

What is the IUPAC name of bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?
The IUPAC name of bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite (CID 163782921) is bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite.
What is the SMILES notation for bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?
The canonical SMILES for bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite is CSF.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.N#C[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?
The InChIKey is MQCVZVSFJCKIEL-XNYFXONRSA-N. The full InChI is InChI=1S/2C27H32ClN5O3.CH3FS/c2*28-20-8-4-6-17-13-21(32-23(17)20)26(36)33-16-27(9-2-1-3-10-27)14-22(33)25(35)31-19(15-29)12-18-7-5-11-30-24(18)34;1-3-2/h2*4,6,8,13,18-19,22,32H,1-3,5,7,9-12,14,16H2,(H,30,34)(H,31,35);1H3/t2*18-,19-,22?;/m00./s1.
What are the key properties of bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite?
bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite has a molecular weight of 1086.18 g/mol, XLogP of 9.06, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide);methyl thiohypofluorite is sourced from PubChem (CID 163782921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).