1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone

C20H29N3O3 — CID 146115080

IUPAC1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
SMILESCCn1cc2c(n1)C(O)CC1(CCN(C(=O)C34CCC(CC3)C4)CC1)O2
InChIInChI=1S/C20H29N3O3/c1-2-23-13-16-17(21-23)15(24)12-20(26-16)7-9-22(10-8-20)18(25)19-5-3-14(11-19)4-6-19/h13-15,24H,2-12H2,1H3
InChIKeyXKHYDQIIIKPISI-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.66
Rot. Bonds2

About 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone

1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone (PubChem CID 146115080) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
PubChem CID146115080
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
SMILESCCn1cc2c(n1)C(O)CC1(CCN(C(=O)C34CCC(CC3)C4)CC1)O2
InChIInChI=1S/C20H29N3O3/c1-2-23-13-16-17(21-23)15(24)12-20(26-16)7-9-22(10-8-20)18(25)19-5-3-14(11-19)4-6-19/h13-15,24H,2-12H2,1H3
InChIKeyXKHYDQIIIKPISI-UHFFFAOYSA-N
XLogP2.66
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone with MolForge

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Related Compounds

(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone
CID 146115083
1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone
CID 167777329
7-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carbonyl)-3H-1,3-benzoxazol-2-one
CID 167798589
1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one
CID 146115016
1'-(1-bicyclo[2.2.1]heptanylmethyl)-2-cyclopentylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-7-ol
CID 146114426
(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 146115019
(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 146115030
morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98113240
(4R)-1'-[(2R)-2-(1-ethylindol-3-yl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51501874
1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 112713436
1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 146088807
N-[7-(3-cyclopropyl-1-ethylpyrazole-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]-2,4-dimethylbenzamide
CID 154849145

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone (CID 146115080) is 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone is CCn1cc2c(n1)C(O)CC1(CCN(C(=O)C34CCC(CC3)C4)CC1)O2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
The InChIKey is XKHYDQIIIKPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-23-13-16-17(21-23)15(24)12-20(26-16)7-9-22(10-8-20)18(25)19-5-3-14(11-19)4-6-19/h13-15,24H,2-12H2,1H3.
What are the key properties of 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 146115080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).