N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide

C25H24FN5O4 — CID 129282377

IUPACN-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
SMILESCOc1ccc(F)c(-c2cnc(N3CC4(COC4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)c1
InChIInChI=1S/C25H24FN5O4/c1-30(11-22(27)32)23(33)15-3-5-19-21(7-15)31(12-25(19)13-35-14-25)24-28-9-16(10-29-24)18-8-17(34-2)4-6-20(18)26/h3-10H,11-14H2,1-2H3,(H2,27,32)
InChIKeyKYSXWLQYNMBQFF-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.27
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide

N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide (PubChem CID 129282377) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
PubChem CID129282377
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC NameN-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
SMILESCOc1ccc(F)c(-c2cnc(N3CC4(COC4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)c1
InChIInChI=1S/C25H24FN5O4/c1-30(11-22(27)32)23(33)15-3-5-19-21(7-15)31(12-25(19)13-35-14-25)24-28-9-16(10-29-24)18-8-17(34-2)4-6-20(18)26/h3-10H,11-14H2,1-2H3,(H2,27,32)
InChIKeyKYSXWLQYNMBQFF-UHFFFAOYSA-N
XLogP2.27
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-1-[5-(5-ethoxy-2-fluorophenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282347
1-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282286
1-[5-(3-aminophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129295561
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282474
N-[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfanyl-N-methylmethanamine
CID 129295603
2-[3-[2-(6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
CID 129282330
1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 138403783
6-dimethylphosphoryl-1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129282323
1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxylic acid
CID 129282383
N-(2-hydroxyethyl)-1-[5-(6-methoxy-2-pyridinyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118660060
N-(2-amino-2-oxoethyl)-4-(C-cyclopropyl-N-methylcarbonimidoyl)-N,3-dimethylbenzamide;5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine
CID 144998406
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl] N-methylcarbamate
CID 129309327

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide (CID 129282377) is N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide is COc1ccc(F)c(-c2cnc(N3CC4(COC4)c4ccc(C(=O)N(C)CC(N)=O)cc43)nc2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
The InChIKey is KYSXWLQYNMBQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-30(11-22(27)32)23(33)15-3-5-19-21(7-15)31(12-25(19)13-35-14-25)24-28-9-16(10-29-24)18-8-17(34-2)4-6-20(18)26/h3-10H,11-14H2,1-2H3,(H2,27,32).
What are the key properties of N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide?
N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]-N-methylspiro[2H-indole-3,3'-oxetane]-6-carboxamide is sourced from PubChem (CID 129282377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).