N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide

C75H90N12O12 — CID 167604382

IUPACN-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
SMILESCOc1cccc2c1C=C(C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)N[C@H](CC1CC1)C(=O)N[C@@H](C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)N[C@H](CC1CC1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C2
InChIInChI=1S/3C25H30N4O4/c3*1-33-22-6-2-4-16-11-18(13-20(16)22)24(31)29-21(10-15-7-8-15)25(32)28-19(14-26)12-17-5-3-9-27-23(17)30/h3*2,4,6,13,15,17,19,21H,3,5,7-12H2,1H3,(H,27,30)(H,28,32)(H,29,31)/t17-,19+,21+;17-,19+,21-;17-,19-,21+/m000/s1
InChIKeyKEJFTQIIKJPVOV-CCSAKUKOSA-N
MW1351.62 g/mol
LogP5.53
Rot. Bonds27

About N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide

N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide (PubChem CID 167604382) has the molecular formula C75H90N12O12 and a molecular weight of 1351.62 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
PubChem CID167604382
Molecular FormulaC75H90N12O12
Molecular Weight1351.62 g/mol
Exact Mass1350.68
IUPAC NameN-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
SMILESCOc1cccc2c1C=C(C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)N[C@H](CC1CC1)C(=O)N[C@@H](C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)N[C@H](CC1CC1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C2
InChIInChI=1S/3C25H30N4O4/c3*1-33-22-6-2-4-16-11-18(13-20(16)22)24(31)29-21(10-15-7-8-15)25(32)28-19(14-26)12-17-5-3-9-27-23(17)30/h3*2,4,6,13,15,17,19,21H,3,5,7-12H2,1H3,(H,27,30)(H,28,32)(H,29,31)/t17-,19+,21+;17-,19+,21-;17-,19-,21+/m000/s1
InChIKeyKEJFTQIIKJPVOV-CCSAKUKOSA-N
XLogP5.53
TPSA360.96 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001351.62
LogP ≤ 55.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R,5S)-5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 163531371
N-[1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 167532470
3-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7H-cyclopenta[c]pyridine-6-carboxamide
CID 167708429
N-[(5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[5-cyano-1-cyclopropyl-3-oxo-6-[(3S)-2-oxopiperidin-3-yl]hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide;3-cyclopropyl-2-[(4-methoxy-1H-indene-2-carbonyl)amino]propanoic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2R)-6-cyclopropyl-5-[(4-methoxy-1H-indene-2-carbonyl)amino]-4-oxo-2-[[(3S)-2-oxopiperidin-3-yl]methyl]hexanoate;methyl thiohypofluorite;hydrochloride
CID 163687230
N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 163585312
N-[(2S)-4-[(3aR,6aR)-5-cyano-1,3-dioxo-3a,4,6,6a-tetrahydrocyclopenta[c]pyrrol-5-yl]-1-cyclopropyl-3-oxobutan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158507745
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 162479487
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
CID 164544191
6-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166840139
N-[1-[(8-cyano-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecan-8-yl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158163532
N-[1-[[(2S,6R)-8-cyano-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undecan-8-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide
CID 158163531
N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166505926

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide (CID 167604382) is N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide is COc1cccc2c1C=C(C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)N[C@H](CC1CC1)C(=O)N[C@@H](C#N)C[C@@H]1CCCNC1=O)C2.COc1cccc2c1C=C(C(=O)N[C@H](CC1CC1)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O)C2.
What is the InChIKey of N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The InChIKey is KEJFTQIIKJPVOV-CCSAKUKOSA-N. The full InChI is InChI=1S/3C25H30N4O4/c3*1-33-22-6-2-4-16-11-18(13-20(16)22)24(31)29-21(10-15-7-8-15)25(32)28-19(14-26)12-17-5-3-9-27-23(17)30/h3*2,4,6,13,15,17,19,21H,3,5,7-12H2,1H3,(H,27,30)(H,28,32)(H,29,31)/t17-,19+,21+;17-,19+,21-;17-,19-,21+/m000/s1.
What are the key properties of N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide has a molecular weight of 1351.62 g/mol, XLogP of 5.53, 27 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1R)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide;N-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indene-2-carboxamide is sourced from PubChem (CID 167604382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).