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

C25H26N4O3 — CID 126655115

IUPACN-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H26N4O3/c1-28(10-11-30)23(31)18-6-7-21-22(13-18)29(16-25(21)8-9-25)24-26-14-19(15-27-24)17-4-3-5-20(12-17)32-2/h3-7,12-15,30H,8-11,16H2,1-2H3
InChIKeyMDIOSBSVWPBGCH-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.40
Rot. Bonds6

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

N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 126655115) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID126655115
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H26N4O3/c1-28(10-11-30)23(31)18-6-7-21-22(13-18)29(16-25(21)8-9-25)24-26-14-19(15-27-24)17-4-3-5-20(12-17)32-2/h3-7,12-15,30H,8-11,16H2,1-2H3
InChIKeyMDIOSBSVWPBGCH-UHFFFAOYSA-N
XLogP3.40
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 126655115) is N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is COc1cccc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is MDIOSBSVWPBGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-28(10-11-30)23(31)18-6-7-21-22(13-18)29(16-25(21)8-9-25)24-26-14-19(15-27-24)17-4-3-5-20(12-17)32-2/h3-7,12-15,30H,8-11,16H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 126655115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).