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

C23H24N6O2 — CID 118660015

IUPACN-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCc1cnnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C23H24N6O2/c1-15-9-19(27-26-11-15)17-12-24-22(25-13-17)29-14-23(5-6-23)18-4-3-16(10-20(18)29)21(31)28(2)7-8-30/h3-4,9-13,30H,5-8,14H2,1-2H3
InChIKeyITDABEQZZLABJP-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.49
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118660015) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118660015
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCc1cnnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C23H24N6O2/c1-15-9-19(27-26-11-15)17-12-24-22(25-13-17)29-14-23(5-6-23)18-4-3-16(10-20(18)29)21(31)28(2)7-8-30/h3-4,9-13,30H,5-8,14H2,1-2H3
InChIKeyITDABEQZZLABJP-UHFFFAOYSA-N
XLogP2.49
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118660015) is N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is Cc1cnnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is ITDABEQZZLABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-9-19(27-26-11-15)17-12-24-22(25-13-17)29-14-23(5-6-23)18-4-3-16(10-20(18)29)21(31)28(2)7-8-30/h3-4,9-13,30H,5-8,14H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1-[5-(5-methylpyridazin-3-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118660015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).