(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone

C21H23N5O2 — CID 176503576

IUPAC(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
SMILESCn1cnc(C(=O)N2CCC3(CC2)OCCc2cn(-c4ccccc4)nc23)c1
InChIInChI=1S/C21H23N5O2/c1-24-14-18(22-15-24)20(27)25-10-8-21(9-11-25)19-16(7-12-28-21)13-26(23-19)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3
InChIKeyDZGPAJMYRQBPRN-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.31
Rot. Bonds2

About (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone

(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone (PubChem CID 176503576) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
PubChem CID176503576
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
SMILESCn1cnc(C(=O)N2CCC3(CC2)OCCc2cn(-c4ccccc4)nc23)c1
InChIInChI=1S/C21H23N5O2/c1-24-14-18(22-15-24)20(27)25-10-8-21(9-11-25)19-16(7-12-28-21)13-26(23-19)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3
InChIKeyDZGPAJMYRQBPRN-UHFFFAOYSA-N
XLogP2.31
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176505816
(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176505922
1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 176506834
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 135100932
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97411912
1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813
(2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone
CID 154779693
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 124969063
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone (CID 176503576) is (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone is Cn1cnc(C(=O)N2CCC3(CC2)OCCc2cn(-c4ccccc4)nc23)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is DZGPAJMYRQBPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-14-18(22-15-24)20(27)25-10-8-21(9-11-25)19-16(7-12-28-21)13-26(23-19)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 176503576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).