(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane

C19H29FN4O — CID 69492780

IUPAC(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
SMILESCOC1CCC(N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)CC1
InChIInChI=1S/C19H29FN4O/c1-25-17-5-3-16(4-6-17)23-10-8-19(13-23)7-2-9-24(14-19)18-21-11-15(20)12-22-18/h11-12,16-17H,2-10,13-14H2,1H3/t16?,17?,19-/m1/s1
InChIKeyDQLURACPQSJLTG-FAFZWHIHSA-N
MW348.47 g/mol
LogP2.87
Rot. Bonds3

About (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane

(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane (PubChem CID 69492780) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
PubChem CID69492780
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
SMILESCOC1CCC(N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)CC1
InChIInChI=1S/C19H29FN4O/c1-25-17-5-3-16(4-6-17)23-10-8-19(13-23)7-2-9-24(14-19)18-21-11-15(20)12-22-18/h11-12,16-17H,2-10,13-14H2,1H3/t16?,17?,19-/m1/s1
InChIKeyDQLURACPQSJLTG-FAFZWHIHSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane 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 (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane (CID 69492780) is (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane is COC1CCC(N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)CC1.
What is the InChIKey of (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is DQLURACPQSJLTG-FAFZWHIHSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-25-17-5-3-16(4-6-17)23-10-8-19(13-23)7-2-9-24(14-19)18-21-11-15(20)12-22-18/h11-12,16-17H,2-10,13-14H2,1H3/t16?,17?,19-/m1/s1.
What are the key properties of (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane?
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 348.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 69492780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).