[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone

C21H32N4O3 — CID 146068231

IUPAC[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C3CCOCC3)CC1)OC2
InChIInChI=1S/C21H32N4O3/c1-23-18-14-21(6-10-24(11-7-21)16-4-12-27-13-5-16)28-15-17(18)19(22-23)20(26)25-8-2-3-9-25/h16H,2-15H2,1H3
InChIKeyQEKBTHUYCVYMAA-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.74
Rot. Bonds2

About [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone

[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 146068231) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID146068231
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C3CCOCC3)CC1)OC2
InChIInChI=1S/C21H32N4O3/c1-23-18-14-21(6-10-24(11-7-21)16-4-12-27-13-5-16)28-15-17(18)19(22-23)20(26)25-8-2-3-9-25/h16H,2-15H2,1H3
InChIKeyQEKBTHUYCVYMAA-UHFFFAOYSA-N
XLogP1.74
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

1-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-3-morpholin-4-ylpropan-1-one
CID 146068242
(5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone
CID 146068230
[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
CID 146068229
(1-ethyl-5-methylpyrazol-4-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone
CID 146068246
[1'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068259
N-cyclopropyl-1-methyl-1'-(4-methyl-1,3-oxazole-5-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069530
N-(cyclopropylmethyl)-1-methyl-1'-(1-methylpyrrole-2-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069573
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
[(5S)-1-methyl-5-piperidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26220935
azepan-1-yl-(1-methyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 45164485
1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067908
cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 91917561

Frequently Asked Questions

What is the IUPAC name of [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone (CID 146068231) is [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone is Cn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C3CCOCC3)CC1)OC2.
What is the InChIKey of [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QEKBTHUYCVYMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-23-18-14-21(6-10-24(11-7-21)16-4-12-27-13-5-16)28-15-17(18)19(22-23)20(26)25-8-2-3-9-25/h16H,2-15H2,1H3.
What are the key properties of [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone?
[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 388.51 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 146068231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).