N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide

C22H21FN6O2 — CID 167521456

IUPACN-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide
SMILESCC(C#N)(NC(=O)C(CC1CC1)NC(=O)c1cc2cccc(F)c2[nH]1)c1cnccn1
InChIInChI=1S/C22H21FN6O2/c1-22(12-24,18-11-25-7-8-26-18)29-21(31)16(9-13-5-6-13)28-20(30)17-10-14-3-2-4-15(23)19(14)27-17/h2-4,7-8,10-11,13,16,27H,5-6,9H2,1H3,(H,28,30)(H,29,31)
InChIKeyODSXEATYWYNOGJ-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.55
Rot. Bonds7

About N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide

N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide (PubChem CID 167521456) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide
PubChem CID167521456
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC NameN-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide
SMILESCC(C#N)(NC(=O)C(CC1CC1)NC(=O)c1cc2cccc(F)c2[nH]1)c1cnccn1
InChIInChI=1S/C22H21FN6O2/c1-22(12-24,18-11-25-7-8-26-18)29-21(31)16(9-13-5-6-13)28-20(30)17-10-14-3-2-4-15(23)19(14)27-17/h2-4,7-8,10-11,13,16,27H,5-6,9H2,1H3,(H,28,30)(H,29,31)
InChIKeyODSXEATYWYNOGJ-UHFFFAOYSA-N
XLogP2.55
TPSA123.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[cyano(1,6-naphthyridin-8-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 175899284
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
N-[(2S)-4,4-difluoro-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 170431183
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
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
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide
CID 170446965
methyl (2S)-2-[[(2S)-2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]propanoate
CID 166840763
7-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-hydroxypiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-1H-indole-2-carboxamide
CID 170026304
N-[(2S)-1-[[2-cyano-1-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166749644
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166611623
(2S)-2-[(7-fluoro-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835870
N-[4-[[cyano-[4-ethenyl-5-(methylideneamino)-3-pyridinyl]methyl]amino]-3-methyl-4-oxo-1-sulfanylbutyl]-7-fluoro-1H-indole-2-carboxamide
CID 167521469

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide (CID 167521456) is N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide is CC(C#N)(NC(=O)C(CC1CC1)NC(=O)c1cc2cccc(F)c2[nH]1)c1cnccn1.
What is the InChIKey of N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
The InChIKey is ODSXEATYWYNOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-22(12-24,18-11-25-7-8-26-18)29-21(31)16(9-13-5-6-13)28-20(30)17-10-14-3-2-4-15(23)19(14)27-17/h2-4,7-8,10-11,13,16,27H,5-6,9H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide?
N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyano-1-pyrazin-2-ylethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 167521456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).