[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone

C19H23N5O2 — CID 167940871

IUPAC[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1cn[nH]c1)N1CCC2(CCCN(C(=O)c3ccncc3)C2)CC1
InChIInChI=1S/C19H23N5O2/c25-17(15-2-7-20-8-3-15)24-9-1-4-19(14-24)5-10-23(11-6-19)18(26)16-12-21-22-13-16/h2-3,7-8,12-13H,1,4-6,9-11,14H2,(H,21,22)
InChIKeyULKWSBANWKRAHS-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.96
Rot. Bonds2

About [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone

[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone (PubChem CID 167940871) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
PubChem CID167940871
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1cn[nH]c1)N1CCC2(CCCN(C(=O)c3ccncc3)C2)CC1
InChIInChI=1S/C19H23N5O2/c25-17(15-2-7-20-8-3-15)24-9-1-4-19(14-24)5-10-23(11-6-19)18(26)16-12-21-22-13-16/h2-3,7-8,12-13H,1,4-6,9-11,14H2,(H,21,22)
InChIKeyULKWSBANWKRAHS-UHFFFAOYSA-N
XLogP1.96
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
pyridin-4-yl-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235542
2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77092196
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone
CID 110853513
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
CID 164688862
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206

Frequently Asked Questions

What is the IUPAC name of [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone (CID 167940871) is [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone is O=C(c1cn[nH]c1)N1CCC2(CCCN(C(=O)c3ccncc3)C2)CC1.
What is the InChIKey of [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone?
The InChIKey is ULKWSBANWKRAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(15-2-7-20-8-3-15)24-9-1-4-19(14-24)5-10-23(11-6-19)18(26)16-12-21-22-13-16/h2-3,7-8,12-13H,1,4-6,9-11,14H2,(H,21,22).
What are the key properties of [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone?
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone has a molecular weight of 353.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 167940871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).