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

C23H22ClN5O3 — CID 134156584

IUPAC[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
SMILESNc1c(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)cnn1-c1cc(O)ccc1Cl
InChIInChI=1S/C23H22ClN5O3/c24-18-3-2-16(30)11-21(18)29-23(25)17(12-26-29)22(31)20-10-15-9-14(1-4-19(15)27-20)13-28-5-7-32-8-6-28/h1-4,9-12,27,30H,5-8,13,25H2
InChIKeyIWBVZILESKBVJL-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.36
Rot. Bonds5

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

[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone (PubChem CID 134156584) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
PubChem CID134156584
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone
SMILESNc1c(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)cnn1-c1cc(O)ccc1Cl
InChIInChI=1S/C23H22ClN5O3/c24-18-3-2-16(30)11-21(18)29-23(25)17(12-26-29)22(31)20-10-15-9-14(1-4-19(15)27-20)13-28-5-7-32-8-6-28/h1-4,9-12,27,30H,5-8,13,25H2
InChIKeyIWBVZILESKBVJL-UHFFFAOYSA-N
XLogP3.36
TPSA109.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
The IUPAC name of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone (CID 134156584) is [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
The canonical SMILES for [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone is Nc1c(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)cnn1-c1cc(O)ccc1Cl.
What is the InChIKey of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
The InChIKey is IWBVZILESKBVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c24-18-3-2-16(30)11-21(18)29-23(25)17(12-26-29)22(31)20-10-15-9-14(1-4-19(15)27-20)13-28-5-7-32-8-6-28/h1-4,9-12,27,30H,5-8,13,25H2.
What are the key properties of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone?
[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone has a molecular weight of 451.91 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 134156584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).