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

C21H21N5O2 — CID 175994824

IUPAC3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESNCC(C(=O)Nc1cccc2c(-c3cn[nH]c3)c[nH]c12)c1cccc(CO)c1
InChIInChI=1S/C21H21N5O2/c22-8-17(14-4-1-3-13(7-14)12-27)21(28)26-19-6-2-5-16-18(11-23-20(16)19)15-9-24-25-10-15/h1-7,9-11,17,23,27H,8,12,22H2,(H,24,25)(H,26,28)
InChIKeyFCCWFJCTIWWVLI-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.73
Rot. Bonds6

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

3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (PubChem CID 175994824) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.

Molecular Properties

Compound Name3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
PubChem CID175994824
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESNCC(C(=O)Nc1cccc2c(-c3cn[nH]c3)c[nH]c12)c1cccc(CO)c1
InChIInChI=1S/C21H21N5O2/c22-8-17(14-4-1-3-13(7-14)12-27)21(28)26-19-6-2-5-16-18(11-23-20(16)19)15-9-24-25-10-15/h1-7,9-11,17,23,27H,8,12,22H2,(H,24,25)(H,26,28)
InChIKeyFCCWFJCTIWWVLI-UHFFFAOYSA-N
XLogP2.73
TPSA119.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 178185458
3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994904
(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
(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
3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
CID 175994843
(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
CID 175994891
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156568971
2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994873
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
[(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-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The IUPAC name of 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (CID 175994824) is 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.
What is the SMILES notation for 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The canonical SMILES for 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is NCC(C(=O)Nc1cccc2c(-c3cn[nH]c3)c[nH]c12)c1cccc(CO)c1.
What is the InChIKey of 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The InChIKey is FCCWFJCTIWWVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-8-17(14-4-1-3-13(7-14)12-27)21(28)26-19-6-2-5-16-18(11-23-20(16)19)15-9-24-25-10-15/h1-7,9-11,17,23,27H,8,12,22H2,(H,24,25)(H,26,28).
What are the key properties of 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide has a molecular weight of 375.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is sourced from PubChem (CID 175994824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).