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

C20H18ClN5O — CID 175994858

IUPAC3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESNCC(C(=O)Nc1cccc2c(-c3cn[nH]c3)c[nH]c12)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN5O/c21-14-4-1-3-12(7-14)16(8-22)20(27)26-18-6-2-5-15-17(11-23-19(15)18)13-9-24-25-10-13/h1-7,9-11,16,23H,8,22H2,(H,24,25)(H,26,27)
InChIKeyDNUFBEMCJLHZIG-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.89
Rot. Bonds5

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

3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (PubChem CID 175994858) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.

Molecular Properties

Compound Name3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
PubChem CID175994858
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESNCC(C(=O)Nc1cccc2c(-c3cn[nH]c3)c[nH]c12)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN5O/c21-14-4-1-3-12(7-14)16(8-22)20(27)26-18-6-2-5-15-17(11-23-19(15)18)13-9-24-25-10-13/h1-7,9-11,16,23H,8,22H2,(H,24,25)(H,26,27)
InChIKeyDNUFBEMCJLHZIG-UHFFFAOYSA-N
XLogP3.89
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The IUPAC name of 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (CID 175994858) is 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.
What is the SMILES notation for 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The canonical SMILES for 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is NCC(C(=O)Nc1cccc2c(-c3cn[nH]c3)c[nH]c12)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The InChIKey is DNUFBEMCJLHZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c21-14-4-1-3-12(7-14)16(8-22)20(27)26-18-6-2-5-15-17(11-23-19(15)18)13-9-24-25-10-13/h1-7,9-11,16,23H,8,22H2,(H,24,25)(H,26,27).
What are the key properties of 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide has a molecular weight of 379.85 g/mol, XLogP of 3.89, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chlorophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is sourced from PubChem (CID 175994858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).