1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C24H23ClN4O2 — CID 118659936

IUPAC1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cccc(Cl)c3)cn1)CC21CC1
InChIInChI=1S/C24H23ClN4O2/c1-28(9-10-30)22(31)17-5-6-20-21(12-17)29(15-24(20)7-8-24)23-26-13-18(14-27-23)16-3-2-4-19(25)11-16/h2-6,11-14,30H,7-10,15H2,1H3
InChIKeyKCXKIJJGNOKQIW-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.04
Rot. Bonds5

About 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659936) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659936
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cccc(Cl)c3)cn1)CC21CC1
InChIInChI=1S/C24H23ClN4O2/c1-28(9-10-30)22(31)17-5-6-20-21(12-17)29(15-24(20)7-8-24)23-26-13-18(14-27-23)16-3-2-4-19(25)11-16/h2-6,11-14,30H,7-10,15H2,1H3
InChIKeyKCXKIJJGNOKQIW-UHFFFAOYSA-N
XLogP4.04
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659936) is 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CN(CCO)C(=O)c1ccc2c(c1)N(c1ncc(-c3cccc(Cl)c3)cn1)CC21CC1.
What is the InChIKey of 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is KCXKIJJGNOKQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-28(9-10-30)22(31)17-5-6-20-21(12-17)29(15-24(20)7-8-24)23-26-13-18(14-27-23)16-3-2-4-19(25)11-16/h2-6,11-14,30H,7-10,15H2,1H3.
What are the key properties of 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).