[5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone

C29H27N5O3 — CID 118138192

IUPAC[5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
SMILESNc1c(C(=O)c2cc3ccc(CN4CCOCC4)cc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H27N5O3/c30-29-25(18-31-34(29)22-8-10-24(11-9-22)37-23-4-2-1-3-5-23)28(35)27-17-21-7-6-20(16-26(21)32-27)19-33-12-14-36-15-13-33/h1-11,16-18,32H,12-15,19,30H2
InChIKeyWVUGMCJEYCZOJI-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.79
Rot. Bonds7

About [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone

[5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone (PubChem CID 118138192) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
PubChem CID118138192
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC Name[5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
SMILESNc1c(C(=O)c2cc3ccc(CN4CCOCC4)cc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H27N5O3/c30-29-25(18-31-34(29)22-8-10-24(11-9-22)37-23-4-2-1-3-5-23)28(35)27-17-21-7-6-20(16-26(21)32-27)19-33-12-14-36-15-13-33/h1-11,16-18,32H,12-15,19,30H2
InChIKeyWVUGMCJEYCZOJI-UHFFFAOYSA-N
XLogP4.79
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
The IUPAC name of [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone (CID 118138192) is [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
The canonical SMILES for [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone is Nc1c(C(=O)c2cc3ccc(CN4CCOCC4)cc3[nH]2)cnn1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
The InChIKey is WVUGMCJEYCZOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c30-29-25(18-31-34(29)22-8-10-24(11-9-22)37-23-4-2-1-3-5-23)28(35)27-17-21-7-6-20(16-26(21)32-27)19-33-12-14-36-15-13-33/h1-11,16-18,32H,12-15,19,30H2.
What are the key properties of [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
[5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone has a molecular weight of 493.57 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-phenoxyphenyl)pyrazol-4-yl]-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 118138192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).