[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

C23H34N6O2 — CID 146068259

IUPAC[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
SMILESCCn1cc(CN2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)c(C)n1
InChIInChI=1S/C23H34N6O2/c1-4-29-15-18(17(2)24-29)14-27-11-7-23(8-12-27)13-20-19(16-31-23)21(25-26(20)3)22(30)28-9-5-6-10-28/h15H,4-14,16H2,1-3H3
InChIKeyPFNQLOOIXOCMHZ-UHFFFAOYSA-N
MW426.57 g/mol
LogP2.29
Rot. Bonds4

About [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

[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 (PubChem CID 146068259) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID146068259
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name[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
SMILESCCn1cc(CN2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)c(C)n1
InChIInChI=1S/C23H34N6O2/c1-4-29-15-18(17(2)24-29)14-27-11-7-23(8-12-27)13-20-19(16-31-23)21(25-26(20)3)22(30)28-9-5-6-10-28/h15H,4-14,16H2,1-3H3
InChIKeyPFNQLOOIXOCMHZ-UHFFFAOYSA-N
XLogP2.29
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Related Compounds

(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
(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-[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
[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-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068231
1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068291
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
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
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19333939
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51594824
(4-bromo-1H-pyrazol-5-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19514867

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCn1cc(CN2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)c(C)n1.
What is the InChIKey of [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?
The InChIKey is PFNQLOOIXOCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-4-29-15-18(17(2)24-29)14-27-11-7-23(8-12-27)13-20-19(16-31-23)21(25-26(20)3)22(30)28-9-5-6-10-28/h15H,4-14,16H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 426.57 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 146068259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).