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

C26H28FN5O2 — CID 118659839

IUPAC1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCCNc1ccc(F)c(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C26H28FN5O2/c1-3-28-19-5-7-22(27)20(13-19)18-14-29-25(30-15-18)32-16-26(8-9-26)21-6-4-17(12-23(21)32)24(34)31(2)10-11-33/h4-7,12-15,28,33H,3,8-11,16H2,1-2H3
InChIKeyVIHPNGFKRQWFEP-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.96
Rot. Bonds7

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

1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118659839) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118659839
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCCNc1ccc(F)c(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1
InChIInChI=1S/C26H28FN5O2/c1-3-28-19-5-7-22(27)20(13-19)18-14-29-25(30-15-18)32-16-26(8-9-26)21-6-4-17(12-23(21)32)24(34)31(2)10-11-33/h4-7,12-15,28,33H,3,8-11,16H2,1-2H3
InChIKeyVIHPNGFKRQWFEP-UHFFFAOYSA-N
XLogP3.96
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118659839) is 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CCNc1ccc(F)c(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N(C)CCO)cc43)nc2)c1.
What is the InChIKey of 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is VIHPNGFKRQWFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-3-28-19-5-7-22(27)20(13-19)18-14-29-25(30-15-18)32-16-26(8-9-26)21-6-4-17(12-23(21)32)24(34)31(2)10-11-33/h4-7,12-15,28,33H,3,8-11,16H2,1-2H3.
What are the key properties of 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(ethylamino)-2-fluorophenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118659839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).