[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone

C27H27FN4O2 — CID 118659759

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C27H27FN4O2/c28-23-6-2-1-5-21(23)20-13-29-26(30-14-20)32-17-27(9-10-27)22-8-7-19(12-24(22)32)25(34)31-11-3-4-18(15-31)16-33/h1-2,5-8,12-14,18,33H,3-4,9-11,15-17H2/t18-/m1/s1
InChIKeyIUGWNLPHTAAKSU-GOSISDBHSA-N
MW458.54 g/mol
LogP4.31
Rot. Bonds4

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 118659759) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID118659759
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C27H27FN4O2/c28-23-6-2-1-5-21(23)20-13-29-26(30-14-20)32-17-27(9-10-27)22-8-7-19(12-24(22)32)25(34)31-11-3-4-18(15-31)16-33/h1-2,5-8,12-14,18,33H,3-4,9-11,15-17H2/t18-/m1/s1
InChIKeyIUGWNLPHTAAKSU-GOSISDBHSA-N
XLogP4.31
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone 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-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 118659759) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCC[C@@H](CO)C1.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is IUGWNLPHTAAKSU-GOSISDBHSA-N. The full InChI is InChI=1S/C27H27FN4O2/c28-23-6-2-1-5-21(23)20-13-29-26(30-14-20)32-17-27(9-10-27)22-8-7-19(12-24(22)32)25(34)31-11-3-4-18(15-31)16-33/h1-2,5-8,12-14,18,33H,3-4,9-11,15-17H2/t18-/m1/s1.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 458.54 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118659759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).