[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate

C23H23N5O3 — CID 170358934

IUPAC[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate
SMILESCc1n[nH]c(C)c1-c1c[nH]c2c(NC(=O)[C@H](COC(N)=O)c3ccccc3)cccc12
InChIInChI=1S/C23H23N5O3/c1-13-20(14(2)28-27-13)17-11-25-21-16(17)9-6-10-19(21)26-22(29)18(12-31-23(24)30)15-7-4-3-5-8-15/h3-11,18,25H,12H2,1-2H3,(H2,24,30)(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyMZUDGGTZYJXRDC-GOSISDBHSA-N
MW417.47 g/mol
LogP3.99
Rot. Bonds6

About [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate

[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate (PubChem CID 170358934) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate
PubChem CID170358934
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate
SMILESCc1n[nH]c(C)c1-c1c[nH]c2c(NC(=O)[C@H](COC(N)=O)c3ccccc3)cccc12
InChIInChI=1S/C23H23N5O3/c1-13-20(14(2)28-27-13)17-11-25-21-16(17)9-6-10-19(21)26-22(29)18(12-31-23(24)30)15-7-4-3-5-8-15/h3-11,18,25H,12H2,1-2H3,(H2,24,30)(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyMZUDGGTZYJXRDC-GOSISDBHSA-N
XLogP3.99
TPSA125.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate with MolForge

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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
3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994824
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-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
CID 82506261
(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 129199722
3,5-dimethyl-4-phenyl-1H-pyrazole;methyl 3-aminopropanoate
CID 153352780
(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide
CID 51896436
(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-amino-N-(2-ethylphenyl)-2-phenylpropanamide
CID 62878156

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate?
The IUPAC name of [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate (CID 170358934) is [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate.
What is the SMILES notation for [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate?
The canonical SMILES for [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate is Cc1n[nH]c(C)c1-c1c[nH]c2c(NC(=O)[C@H](COC(N)=O)c3ccccc3)cccc12.
What is the InChIKey of [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate?
The InChIKey is MZUDGGTZYJXRDC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13-20(14(2)28-27-13)17-11-25-21-16(17)9-6-10-19(21)26-22(29)18(12-31-23(24)30)15-7-4-3-5-8-15/h3-11,18,25H,12H2,1-2H3,(H2,24,30)(H,26,29)(H,27,28)/t18-/m1/s1.
What are the key properties of [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate?
[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate has a molecular weight of 417.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate is sourced from PubChem (CID 170358934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).