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

C21H21N5O2 — CID 178185458

IUPAC(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESCOc1cccc([C@H](CN)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C21H21N5O2/c1-28-15-5-2-4-13(8-15)17(9-22)21(27)26-19-7-3-6-16-18(12-23-20(16)19)14-10-24-25-11-14/h2-8,10-12,17,23H,9,22H2,1H3,(H,24,25)(H,26,27)/t17-/m0/s1
InChIKeyYKOBEZUNRAYUTQ-KRWDZBQOSA-N
MW375.43 g/mol
LogP3.25
Rot. Bonds6

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

(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (PubChem CID 178185458) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.

Molecular Properties

Compound Name(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
PubChem CID178185458
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
SMILESCOc1cccc([C@H](CN)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C21H21N5O2/c1-28-15-5-2-4-13(8-15)17(9-22)21(27)26-19-7-3-6-16-18(12-23-20(16)19)14-10-24-25-11-14/h2-8,10-12,17,23H,9,22H2,1H3,(H,24,25)(H,26,27)/t17-/m0/s1
InChIKeyYKOBEZUNRAYUTQ-KRWDZBQOSA-N
XLogP3.25
TPSA108.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994824
3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994904
3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
CID 175994843
(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
N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide
CID 170599014
(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
CID 175994891
2-(3-methoxyphenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425440
[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate
CID 170358934
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The IUPAC name of (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide (CID 178185458) is (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide.
What is the SMILES notation for (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The canonical SMILES for (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is COc1cccc([C@H](CN)C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c1.
What is the InChIKey of (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
The InChIKey is YKOBEZUNRAYUTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-15-5-2-4-13(8-15)17(9-22)21(27)26-19-7-3-6-16-18(12-23-20(16)19)14-10-24-25-11-14/h2-8,10-12,17,23H,9,22H2,1H3,(H,24,25)(H,26,27)/t17-/m0/s1.
What are the key properties of (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide?
(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide has a molecular weight of 375.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide is sourced from PubChem (CID 178185458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).