N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide

C25H33N5O4 — CID 167229512

IUPACN-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N(C)C(CC3CC3)C(=O)NC(C#N)CC3CCCNC3O)cc12
InChIInChI=1S/C25H33N5O4/c1-30(25(33)20-13-18-19(29-20)6-3-7-22(18)34-2)21(11-15-8-9-15)24(32)28-17(14-26)12-16-5-4-10-27-23(16)31/h3,6-7,13,15-17,21,23,27,29,31H,4-5,8-12H2,1-2H3,(H,28,32)
InChIKeyJKCMWRCZJFWHMG-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.13
Rot. Bonds9

About N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide

N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 167229512) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID167229512
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC NameN-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N(C)C(CC3CC3)C(=O)NC(C#N)CC3CCCNC3O)cc12
InChIInChI=1S/C25H33N5O4/c1-30(25(33)20-13-18-19(29-20)6-3-7-22(18)34-2)21(11-15-8-9-15)24(32)28-17(14-26)12-16-5-4-10-27-23(16)31/h3,6-7,13,15-17,21,23,27,29,31H,4-5,8-12H2,1-2H3,(H,28,32)
InChIKeyJKCMWRCZJFWHMG-UHFFFAOYSA-N
XLogP2.13
TPSA130.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[[1-cyano-2-(2-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167077021
(2S,4R)-N-[(1S)-1-cyano-2-[(3S)-2-hydroxypyrrolidin-3-yl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 166893407
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-3-cyclobutyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-3-cyclobutyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 163919009
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 163664793
N-[1-cyano-2-(7-methyl-2-oxo-1,3-dihydroinden-1-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide
CID 163710964
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167691438
methyl (2S)-2-[[(2S)-2-[(4-ethoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-[(3S)-2-hydroxypiperidin-3-yl]propanoate
CID 167141855
(2R)-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclohexyl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
CID 157340956
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino]-1-oxopent-4-yn-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 158226273
(2R)-N-[(1S)-2-[(1R)-4-chloro-2-oxo-1,3-dihydroinden-1-yl]-1-cyanoethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide
CID 163811675
N-[1-cyano-2-(2-oxocyclohexyl)ethyl]-4-(4-methoxy-1H-indol-2-yl)-2-[(1-methylcyclopropyl)methyl]-4-oxobutanamide
CID 163621061
N-[(1S)-2-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-2-oxo-1-phenylethyl]-4-methoxy-1H-indole-2-carboxamide
CID 162778326

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide (CID 167229512) is N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N(C)C(CC3CC3)C(=O)NC(C#N)CC3CCCNC3O)cc12.
What is the InChIKey of N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is JKCMWRCZJFWHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-30(25(33)20-13-18-19(29-20)6-3-7-22(18)34-2)21(11-15-8-9-15)24(32)28-17(14-26)12-16-5-4-10-27-23(16)31/h3,6-7,13,15-17,21,23,27,29,31H,4-5,8-12H2,1-2H3,(H,28,32).
What are the key properties of N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide?
N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 2.13, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167229512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).