3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide

C21H18N6O — CID 175994904

IUPAC3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESN#Cc1ccc(C(CN)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)cc1
InChIInChI=1S/C21H18N6O/c22-8-13-4-6-14(7-5-13)17(9-23)21(28)27-19-3-1-2-16-18(12-24-20(16)19)15-10-25-26-11-15/h1-7,10-12,17,24H,9,23H2,(H,25,26)(H,27,28)
InChIKeyKPVAFGLWHUIGDA-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide

3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (PubChem CID 175994904) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.

Molecular Properties

Compound Name3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
PubChem CID175994904
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESN#Cc1ccc(C(CN)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)cc1
InChIInChI=1S/C21H18N6O/c22-8-13-4-6-14(7-5-13)17(9-23)21(28)27-19-3-1-2-16-18(12-24-20(16)19)15-10-25-26-11-15/h1-7,10-12,17,24H,9,23H2,(H,25,26)(H,27,28)
InChIKeyKPVAFGLWHUIGDA-UHFFFAOYSA-N
XLogP3.11
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994824
(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 178185458
(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 178185488
2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994895
(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
CID 175994891
3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
CID 175994843
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156568971
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994873
3-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]propanamide
CID 139425924
[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate
CID 170358934

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The IUPAC name of 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (CID 175994904) is 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.
What is the SMILES notation for 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The canonical SMILES for 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is N#Cc1ccc(C(CN)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)cc1.
What is the InChIKey of 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The InChIKey is KPVAFGLWHUIGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c22-8-13-4-6-14(7-5-13)17(9-23)21(28)27-19-3-1-2-16-18(12-24-20(16)19)15-10-25-26-11-15/h1-7,10-12,17,24H,9,23H2,(H,25,26)(H,27,28).
What are the key properties of 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide has a molecular weight of 370.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is sourced from PubChem (CID 175994904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).