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

C24H28N4O4S — CID 71584161

IUPAC4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(C1CCOCC1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1
InChIInChI=1S/C24H28N4O4S/c29-33(30,17-5-12-31-13-6-17)24(7-8-24)21-16-22(28-10-14-32-15-11-28)27-23(26-21)19-2-1-3-20-18(19)4-9-25-20/h1-4,9,16-17,25H,5-8,10-15H2
InChIKeyRTWYDZWHIWBFNE-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.04
Rot. Bonds5

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

4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine (PubChem CID 71584161) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine
PubChem CID71584161
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(C1CCOCC1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1
InChIInChI=1S/C24H28N4O4S/c29-33(30,17-5-12-31-13-6-17)24(7-8-24)21-16-22(28-10-14-32-15-11-28)27-23(26-21)19-2-1-3-20-18(19)4-9-25-20/h1-4,9,16-17,25H,5-8,10-15H2
InChIKeyRTWYDZWHIWBFNE-UHFFFAOYSA-N
XLogP3.04
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 46244454
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CID 75184787
CID 118720884
CID 118720884
CID 11634899
CID 11634899
CID 11677284
CID 11677284
CID 23585071
CID 23585071
CID 24936353
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CID 25175568
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CID 46244173
CID 46244173

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine (CID 71584161) is 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine is O=S(=O)(C1CCOCC1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1.
What is the InChIKey of 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine?
The InChIKey is RTWYDZWHIWBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c29-33(30,17-5-12-31-13-6-17)24(7-8-24)21-16-22(28-10-14-32-15-11-28)27-23(26-21)19-2-1-3-20-18(19)4-9-25-20/h1-4,9,16-17,25H,5-8,10-15H2.
What are the key properties of 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine?
4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine has a molecular weight of 468.58 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-4-yl)-6-[1-(oxan-4-ylsulfonyl)cyclopropyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71584161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).