[8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C20H24ClFN4O — CID 91910459

IUPAC[8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ncccn2)CC12CCN(Cc1cccc(Cl)c1F)CC2
InChIInChI=1S/C20H24ClFN4O/c21-17-4-1-3-15(18(17)22)11-25-9-5-20(6-10-25)14-26(12-16(20)13-27)19-23-7-2-8-24-19/h1-4,7-8,16,27H,5-6,9-14H2
InChIKeyCWTYEZYHLNGKBC-UHFFFAOYSA-N
MW390.89 g/mol
LogP2.98
Rot. Bonds4

About [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91910459) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91910459
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name[8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ncccn2)CC12CCN(Cc1cccc(Cl)c1F)CC2
InChIInChI=1S/C20H24ClFN4O/c21-17-4-1-3-15(18(17)22)11-25-9-5-20(6-10-25)14-26(12-16(20)13-27)19-23-7-2-8-24-19/h1-4,7-8,16,27H,5-6,9-14H2
InChIKeyCWTYEZYHLNGKBC-UHFFFAOYSA-N
XLogP2.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91910459) is [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(c2ncccn2)CC12CCN(Cc1cccc(Cl)c1F)CC2.
What is the InChIKey of [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is CWTYEZYHLNGKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c21-17-4-1-3-15(18(17)22)11-25-9-5-20(6-10-25)14-26(12-16(20)13-27)19-23-7-2-8-24-19/h1-4,7-8,16,27H,5-6,9-14H2.
What are the key properties of [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 390.89 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3-chloro-2-fluorophenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91910459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).