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

C20H16N6O — CID 178185488

IUPAC(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
SMILESN#Cc1cccc([C@H](N)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C20H16N6O/c21-8-12-3-1-4-13(7-12)18(22)20(27)26-17-6-2-5-15-16(11-23-19(15)17)14-9-24-25-10-14/h1-7,9-11,18,23H,22H2,(H,24,25)(H,26,27)/t18-/m0/s1
InChIKeyMNPKWVYGRMMDQK-SFHVURJKSA-N
MW356.39 g/mol
LogP3.07
Rot. Bonds4

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

(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide (PubChem CID 178185488) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
PubChem CID178185488
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
SMILESN#Cc1cccc([C@H](N)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C20H16N6O/c21-8-12-3-1-4-13(7-12)18(22)20(27)26-17-6-2-5-15-16(11-23-19(15)17)14-9-24-25-10-14/h1-7,9-11,18,23H,22H2,(H,24,25)(H,26,27)/t18-/m0/s1
InChIKeyMNPKWVYGRMMDQK-SFHVURJKSA-N
XLogP3.07
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The IUPAC name of (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide (CID 178185488) is (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The canonical SMILES for (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide is N#Cc1cccc([C@H](N)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1.
What is the InChIKey of (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
The InChIKey is MNPKWVYGRMMDQK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16N6O/c21-8-12-3-1-4-13(7-12)18(22)20(27)26-17-6-2-5-15-16(11-23-19(15)17)14-9-24-25-10-14/h1-7,9-11,18,23H,22H2,(H,24,25)(H,26,27)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide?
(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide is sourced from PubChem (CID 178185488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).