N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide

C24H30FN5O3 — CID 166840578

IUPACN-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
SMILESCC(C)(C)CC(NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)NC(C#N)CC1CCCNC1=O
InChIInChI=1S/C24H30FN5O3/c1-24(2,3)12-19(23(33)28-16(13-26)10-15-7-5-9-27-21(15)31)30-22(32)18-11-14-6-4-8-17(25)20(14)29-18/h4,6,8,11,15-16,19,29H,5,7,9-10,12H2,1-3H3,(H,27,31)(H,28,33)(H,30,32)
InChIKeyKXAUVOLWNQRYDN-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.77
Rot. Bonds7

About N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide

N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide (PubChem CID 166840578) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
PubChem CID166840578
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC NameN-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
SMILESCC(C)(C)CC(NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)NC(C#N)CC1CCCNC1=O
InChIInChI=1S/C24H30FN5O3/c1-24(2,3)12-19(23(33)28-16(13-26)10-15-7-5-9-27-21(15)31)30-22(32)18-11-14-6-4-8-17(25)20(14)29-18/h4,6,8,11,15-16,19,29H,5,7,9-10,12H2,1-3H3,(H,27,31)(H,28,33)(H,30,32)
InChIKeyKXAUVOLWNQRYDN-UHFFFAOYSA-N
XLogP2.77
TPSA126.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166611602
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-propan-2-yl-1H-indole-2-carboxamide
CID 163283403
6,7-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 163627553
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166840690
6-chloro-N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166749612
(2S)-2-[[(7-chloro-1H-indol-2-yl)-hydroxymethyl]amino]-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-4,4-dimethylpentanamide
CID 167076982
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-propan-2-yl-1H-indole-2-carboxamide
CID 163283262
7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 163283382
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-6-methyl-1H-indole-2-carboxamide
CID 163283270
4,6-dichloro-N-[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 175458220
7-fluoro-N-[(2S)-4-fluoro-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
CID 170450311
7-fluoro-N-[4-fluoro-1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 170431354

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide (CID 166840578) is N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide is CC(C)(C)CC(NC(=O)c1cc2cccc(F)c2[nH]1)C(=O)NC(C#N)CC1CCCNC1=O.
What is the InChIKey of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
The InChIKey is KXAUVOLWNQRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-24(2,3)12-19(23(33)28-16(13-26)10-15-7-5-9-27-21(15)31)30-22(32)18-11-14-6-4-8-17(25)20(14)29-18/h4,6,8,11,15-16,19,29H,5,7,9-10,12H2,1-3H3,(H,27,31)(H,28,33)(H,30,32).
What are the key properties of N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 166840578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).