[1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C26H26N4O3 — CID 118659793

IUPAC[1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H26N4O3/c1-32-21-4-2-3-18(13-21)20-15-27-25(28-16-20)30-17-26(7-8-26)22-6-5-19(14-23(22)30)24(31)29-9-11-33-12-10-29/h2-6,13-16H,7-12,17H2,1H3
InChIKeySUQIWPFYQLCIOV-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.81
Rot. Bonds4

About [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659793) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659793
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name[1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H26N4O3/c1-32-21-4-2-3-18(13-21)20-15-27-25(28-16-20)30-17-26(7-8-26)22-6-5-19(14-23(22)30)24(31)29-9-11-33-12-10-29/h2-6,13-16H,7-12,17H2,1H3
InChIKeySUQIWPFYQLCIOV-UHFFFAOYSA-N
XLogP3.81
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659793) is [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is COc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is SUQIWPFYQLCIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-32-21-4-2-3-18(13-21)20-15-27-25(28-16-20)30-17-26(7-8-26)22-6-5-19(14-23(22)30)24(31)29-9-11-33-12-10-29/h2-6,13-16H,7-12,17H2,1H3.
What are the key properties of [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 442.52 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).