9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

C19H23N5O2 — CID 131685889

IUPAC9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccn[nH]1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1
InChIInChI=1S/C19H23N5O2/c25-17(16-4-10-21-22-16)23-12-6-19(7-13-23)5-1-11-24(18(19)26)14-15-2-8-20-9-3-15/h2-4,8-10H,1,5-7,11-14H2,(H,21,22)
InChIKeyVHRVXCKSYSIWNK-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.85
Rot. Bonds3

About 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one

9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 131685889) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID131685889
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccn[nH]1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1
InChIInChI=1S/C19H23N5O2/c25-17(16-4-10-21-22-16)23-12-6-19(7-13-23)5-1-11-24(18(19)26)14-15-2-8-20-9-3-15/h2-4,8-10H,1,5-7,11-14H2,(H,21,22)
InChIKeyVHRVXCKSYSIWNK-UHFFFAOYSA-N
XLogP1.85
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(1-hydroxycyclobutyl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 155870133
(5R)-9-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896827
1H-pyrazol-5-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 86284090
(5R)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896992
(5S)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896990
9-(3-methylcyclobutanecarbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131686866
9-[2-(1-methoxycyclobutyl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 155880057
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131649044
(5S)-9-pent-4-enoyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896975
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131641976
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42529834

Frequently Asked Questions

What is the IUPAC name of 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 131685889) is 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is O=C(c1ccn[nH]1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1.
What is the InChIKey of 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is VHRVXCKSYSIWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(16-4-10-21-22-16)23-12-6-19(7-13-23)5-1-11-24(18(19)26)14-15-2-8-20-9-3-15/h2-4,8-10H,1,5-7,11-14H2,(H,21,22).
What are the key properties of 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one?
9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 353.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131685889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).