9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C20H27N5O — CID 131645106

IUPAC9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCn1cc(CN2CCCC3(CCC(=O)N3Cc3ccncc3)CC2)cn1
InChIInChI=1S/C20H27N5O/c1-23-14-18(13-22-23)15-24-11-2-6-20(8-12-24)7-3-19(26)25(20)16-17-4-9-21-10-5-17/h4-5,9-10,13-14H,2-3,6-8,11-12,15-16H2,1H3
InChIKeyWZQDYRMUUKGCST-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.36
Rot. Bonds4

About 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131645106) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131645106
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCn1cc(CN2CCCC3(CCC(=O)N3Cc3ccncc3)CC2)cn1
InChIInChI=1S/C20H27N5O/c1-23-14-18(13-22-23)15-24-11-2-6-20(8-12-24)7-3-19(26)25(20)16-17-4-9-21-10-5-17/h4-5,9-10,13-14H,2-3,6-8,11-12,15-16H2,1H3
InChIKeyWZQDYRMUUKGCST-UHFFFAOYSA-N
XLogP2.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
1-(2-methylsulfonylethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682387
8-(1H-pyrazol-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155879173
9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134073846
7-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466869
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
1-(pyridin-4-ylmethyl)-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155825671
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131645106) is 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is Cn1cc(CN2CCCC3(CCC(=O)N3Cc3ccncc3)CC2)cn1.
What is the InChIKey of 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is WZQDYRMUUKGCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-23-14-18(13-22-23)15-24-11-2-6-20(8-12-24)7-3-19(26)25(20)16-17-4-9-21-10-5-17/h4-5,9-10,13-14H,2-3,6-8,11-12,15-16H2,1H3.
What are the key properties of 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131645106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).