10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane

C18H25FN6 — CID 134077658

IUPAC10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
SMILESCc1cnc(N2CCC(F)C3(CCN(Cc4cnn(C)c4)C3)C2)nc1
InChIInChI=1S/C18H25FN6/c1-14-7-20-17(21-8-14)25-5-3-16(19)18(13-25)4-6-24(12-18)11-15-9-22-23(2)10-15/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyYKRSFUILXRPUNG-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.96
Rot. Bonds3

About 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane

10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 134077658) has the molecular formula C18H25FN6 and a molecular weight of 344.44 g/mol. Its IUPAC name is 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
PubChem CID134077658
Molecular FormulaC18H25FN6
Molecular Weight344.44 g/mol
Exact Mass344.21
IUPAC Name10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
SMILESCc1cnc(N2CCC(F)C3(CCN(Cc4cnn(C)c4)C3)C2)nc1
InChIInChI=1S/C18H25FN6/c1-14-7-20-17(21-8-14)25-5-3-16(19)18(13-25)4-6-24(12-18)11-15-9-22-23(2)10-15/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyYKRSFUILXRPUNG-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane (CID 134077658) is 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane is Cc1cnc(N2CCC(F)C3(CCN(Cc4cnn(C)c4)C3)C2)nc1.
What is the InChIKey of 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is YKRSFUILXRPUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6/c1-14-7-20-17(21-8-14)25-5-3-16(19)18(13-25)4-6-24(12-18)11-15-9-22-23(2)10-15/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane?
10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 344.44 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 134077658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).