[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

C19H25N5O — CID 97397001

IUPAC[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2ccncc2)CC3)cn1
InChIInChI=1S/C19H25N5O/c1-22-14-16(13-21-22)15-24-10-2-5-19(24)6-11-23(12-7-19)18(25)17-3-8-20-9-4-17/h3-4,8-9,13-14H,2,5-7,10-12,15H2,1H3
InChIKeyWWCXXGRKBOFHBK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.09
Rot. Bonds3

About [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (PubChem CID 97397001) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
PubChem CID97397001
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2ccncc2)CC3)cn1
InChIInChI=1S/C19H25N5O/c1-22-14-16(13-21-22)15-24-10-2-5-19(24)6-11-23(12-7-19)18(25)17-3-8-20-9-4-17/h3-4,8-9,13-14H,2,5-7,10-12,15H2,1H3
InChIKeyWWCXXGRKBOFHBK-UHFFFAOYSA-N
XLogP2.09
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (CID 97397001) is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is Cn1cc(CN2CCCC23CCN(C(=O)c2ccncc2)CC3)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The InChIKey is WWCXXGRKBOFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22-14-16(13-21-22)15-24-10-2-5-19(24)6-11-23(12-7-19)18(25)17-3-8-20-9-4-17/h3-4,8-9,13-14H,2,5-7,10-12,15H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97397001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).