N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

C25H27N5O3 — CID 118659975

IUPACN-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cc(C)nc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H27N5O3/c1-16-10-19(33-3)12-21(28-16)18-13-26-24(27-14-18)30-15-25(6-7-25)20-5-4-17(11-22(20)30)23(32)29(2)8-9-31/h4-5,10-14,31H,6-9,15H2,1-3H3
InChIKeyPKDAHUKMGMWGOA-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.10
Rot. Bonds6

About N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide

N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659975) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659975
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cc(C)nc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H27N5O3/c1-16-10-19(33-3)12-21(28-16)18-13-26-24(27-14-18)30-15-25(6-7-25)20-5-4-17(11-22(20)30)23(32)29(2)8-9-31/h4-5,10-14,31H,6-9,15H2,1-3H3
InChIKeyPKDAHUKMGMWGOA-UHFFFAOYSA-N
XLogP3.10
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 118659778
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CID 118659807
CID 118659807
CID 118659872
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CID 118659968
CID 118659968
CID 118659979
CID 118659979
CID 118660034
CID 118660034
CID 118660048
CID 118660048
CID 118660251
CID 118660251
CID 118668734
CID 118668734
CID 138403742
CID 138403742
CID 138403746
CID 138403746

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659975) is N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is COc1cc(C)nc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is PKDAHUKMGMWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16-10-19(33-3)12-21(28-16)18-13-26-24(27-14-18)30-15-25(6-7-25)20-5-4-17(11-22(20)30)23(32)29(2)8-9-31/h4-5,10-14,31H,6-9,15H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[5-(4-methoxy-6-methyl-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).