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

C26H26N4O3 — CID 118659950

IUPAC[1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1cnc(N2CC3(CC3)c3ccc(C(=O)N4CCOCC4)cc32)nc1
InChIInChI=1S/C26H26N4O3/c1-32-23-5-3-2-4-20(23)19-15-27-25(28-16-19)30-17-26(8-9-26)21-7-6-18(14-22(21)30)24(31)29-10-12-33-13-11-29/h2-7,14-16H,8-13,17H2,1H3
InChIKeySWXPWTMBNQTRCC-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.81
Rot. Bonds4

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

[1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659950) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is [1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659950
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name[1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1cnc(N2CC3(CC3)c3ccc(C(=O)N4CCOCC4)cc32)nc1
InChIInChI=1S/C26H26N4O3/c1-32-23-5-3-2-4-20(23)19-15-27-25(28-16-19)30-17-26(8-9-26)21-7-6-18(14-22(21)30)24(31)29-10-12-33-13-11-29/h2-7,14-16H,8-13,17H2,1H3
InChIKeySWXPWTMBNQTRCC-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-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659950) is [1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is COc1ccccc1-c1cnc(N2CC3(CC3)c3ccc(C(=O)N4CCOCC4)cc32)nc1.
What is the InChIKey of [1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is SWXPWTMBNQTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-32-23-5-3-2-4-20(23)19-15-27-25(28-16-19)30-17-26(8-9-26)21-7-6-18(14-22(21)30)24(31)29-10-12-33-13-11-29/h2-7,14-16H,8-13,17H2,1H3.
What are the key properties of [1-[5-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-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-(2-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).