(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

C17H22N6O — CID 95043516

IUPAC(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H22N6O/c1-21-13-9-18-14(21)15(24)22-11-5-17(6-12-22)4-2-10-23(17)16-19-7-3-8-20-16/h3,7-9,13H,2,4-6,10-12H2,1H3
InChIKeyHUSJHIURIAPLQJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.49
Rot. Bonds2

About (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 95043516) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID95043516
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H22N6O/c1-21-13-9-18-14(21)15(24)22-11-5-17(6-12-22)4-2-10-23(17)16-19-7-3-8-20-16/h3,7-9,13H,2,4-6,10-12H2,1H3
InChIKeyHUSJHIURIAPLQJ-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97409309
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493640
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742793
pyridin-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843116
[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
CID 31224741
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone
CID 131642632
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124960013
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 124820106
[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 131929401
[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844409

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 95043516) is (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is Cn1ccnc1C(=O)N1CCC2(CCCN2c2ncccn2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is HUSJHIURIAPLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-21-13-9-18-14(21)15(24)22-11-5-17(6-12-22)4-2-10-23(17)16-19-7-3-8-20-16/h3,7-9,13H,2,4-6,10-12H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 95043516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).