(3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C20H23FN4O — CID 3233021

IUPAC(3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C20H23FN4O/c21-17-5-1-4-16(14-17)18(26)24-12-7-20(8-13-24)6-2-11-25(15-20)19-22-9-3-10-23-19/h1,3-5,9-10,14H,2,6-8,11-13,15H2
InChIKeyRVVFCROLSGQPRP-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.14
Rot. Bonds2

About (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

(3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3233021) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3233021
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name(3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C20H23FN4O/c21-17-5-1-4-16(14-17)18(26)24-12-7-20(8-13-24)6-2-11-25(15-20)19-22-9-3-10-23-19/h1,3-5,9-10,14H,2,6-8,11-13,15H2
InChIKeyRVVFCROLSGQPRP-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3233021) is (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is RVVFCROLSGQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-17-5-1-4-16(14-17)18(26)24-12-7-20(8-13-24)6-2-11-25(15-20)19-22-9-3-10-23-19/h1,3-5,9-10,14H,2,6-8,11-13,15H2.
What are the key properties of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 354.43 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3233021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).