4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine

C25H24N4O3S — CID 71584163

IUPAC4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine
SMILESO=S(=O)(c1ccccc1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1
InChIInChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2
InChIKeyJFAPSODMPJFCQW-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.92
Rot. Bonds5

About 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine

4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 71584163) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine
PubChem CID71584163
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine
SMILESO=S(=O)(c1ccccc1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1
InChIInChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2
InChIKeyJFAPSODMPJFCQW-UHFFFAOYSA-N
XLogP3.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine 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 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine (CID 71584163) is 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine is O=S(=O)(c1ccccc1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1.
What is the InChIKey of 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine?
The InChIKey is JFAPSODMPJFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2.
What are the key properties of 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine?
4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 460.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(benzenesulfonyl)cyclopropyl]-2-(1H-indol-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71584163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).