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

C25H27N5O4 — CID 118659929

IUPAC1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cc(OC)nc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H27N5O4/c1-29(8-9-31)23(32)16-4-5-19-21(10-16)30(15-25(19)6-7-25)24-26-13-17(14-27-24)20-11-18(33-2)12-22(28-20)34-3/h4-5,10-14,31H,6-9,15H2,1-3H3
InChIKeyRSEPWFGWYJQOSE-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.80
Rot. Bonds7

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

1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659929) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659929
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCOc1cc(OC)nc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C25H27N5O4/c1-29(8-9-31)23(32)16-4-5-19-21(10-16)30(15-25(19)6-7-25)24-26-13-17(14-27-24)20-11-18(33-2)12-22(28-20)34-3/h4-5,10-14,31H,6-9,15H2,1-3H3
InChIKeyRSEPWFGWYJQOSE-UHFFFAOYSA-N
XLogP2.80
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162647487
N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162672139
[1-[5-(2-Fluoro-6-methoxy-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659798
[1-[5-(2-Fluoro-4-methoxy-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659807
[1-[5-(2-Fluoro-5-methoxy-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659968
1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118660034
[1-[5-(2-Fluoro-phenoxy)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118660251
[4-fluoro-3-[2-[6-[2-hydroxyethyl(methyl)carbamoyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]phenyl] acetate
CID 118668734
[1-[5-(2-Fluoro-5-(trifluoromethyloxy)-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 138403742
[1-[5-(2-Fluoro-5-methoxy-phenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-piperazin-1-yl-methanone
CID 138403746
N-(2-hydroxyethyl)-4-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)benzamide
CID 76282780
[1-[5-(3-Methoxyphenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 118659793

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659929) is 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is COc1cc(OC)nc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.
What is the InChIKey of 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is RSEPWFGWYJQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-29(8-9-31)23(32)16-4-5-19-21(10-16)30(15-25(19)6-7-25)24-26-13-17(14-27-24)20-11-18(33-2)12-22(28-20)34-3/h4-5,10-14,31H,6-9,15H2,1-3H3.
What are the key properties of 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,6-dimethoxy-2-pyridinyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).