(6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid

C17H14ClN5O3 — CID 135333126

IUPAC(6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid
SMILESCOc1cccc2c1cc(C#N)n2CCN(C(=O)O)c1cc(Cl)ncn1
InChIInChI=1S/C17H14ClN5O3/c1-26-14-4-2-3-13-12(14)7-11(9-19)22(13)5-6-23(17(24)25)16-8-15(18)20-10-21-16/h2-4,7-8,10H,5-6H2,1H3,(H,24,25)
InChIKeySTVVOWFZTYNPJE-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.15
Rot. Bonds5

About (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid

(6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid (PubChem CID 135333126) has the molecular formula C17H14ClN5O3 and a molecular weight of 371.78 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid
PubChem CID135333126
Molecular FormulaC17H14ClN5O3
Molecular Weight371.78 g/mol
Exact Mass371.08
IUPAC Name(6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid
SMILESCOc1cccc2c1cc(C#N)n2CCN(C(=O)O)c1cc(Cl)ncn1
InChIInChI=1S/C17H14ClN5O3/c1-26-14-4-2-3-13-12(14)7-11(9-19)22(13)5-6-23(17(24)25)16-8-15(18)20-10-21-16/h2-4,7-8,10H,5-6H2,1H3,(H,24,25)
InChIKeySTVVOWFZTYNPJE-UHFFFAOYSA-N
XLogP3.15
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate
CID 151219677
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
4-methoxy-1-methylindol-2-ol
CID 57183322
2-chloro-3-[6-[2-(2-cyano-7-fluoro-4-methoxyindol-1-yl)ethylamino]pyrimidin-4-yl]-6-propoxybenzoic acid
CID 135333853
2-chloro-6-ethoxy-4-[6-[2-(4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]benzoic acid
CID 135334105
3-chloro-8-methoxyisoquinoline
CID 14589577
4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile
CID 135333626
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
CID 175749965
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
CID 117120626
tert-butyl 2-(6-chloropyrimidin-4-yl)-4-phenylmethoxyindole-1-carboxylate
CID 24902040
4-[6-[2-(2-cyano-6-fluoro-4-methoxyindol-1-yl)ethylamino]pyrimidin-4-yl]-2-(2-methylpropyl)benzoic acid
CID 135333699

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid?
The IUPAC name of (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid (CID 135333126) is (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid.
What is the SMILES notation for (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid?
The canonical SMILES for (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid is COc1cccc2c1cc(C#N)n2CCN(C(=O)O)c1cc(Cl)ncn1.
What is the InChIKey of (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid?
The InChIKey is STVVOWFZTYNPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3/c1-26-14-4-2-3-13-12(14)7-11(9-19)22(13)5-6-23(17(24)25)16-8-15(18)20-10-21-16/h2-4,7-8,10H,5-6H2,1H3,(H,24,25).
What are the key properties of (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid?
(6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid has a molecular weight of 371.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl)-[2-(2-cyano-4-methoxyindol-1-yl)ethyl]carbamic acid is sourced from PubChem (CID 135333126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).