(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

C23H32N6O3 — CID 146068246

IUPAC(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
SMILESCCn1ncc(C(=O)N2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)c1C
InChIInChI=1S/C23H32N6O3/c1-4-29-16(2)17(14-24-29)21(30)28-11-7-23(8-12-28)13-19-18(15-32-23)20(25-26(19)3)22(31)27-9-5-6-10-27/h14H,4-13,15H2,1-3H3
InChIKeyFTZVZSKJJSUYIJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.93
Rot. Bonds3

About (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

(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 (PubChem CID 146068246) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146068246
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name(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
SMILESCCn1ncc(C(=O)N2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)c1C
InChIInChI=1S/C23H32N6O3/c1-4-29-16(2)17(14-24-29)21(30)28-11-7-23(8-12-28)13-19-18(15-32-23)20(25-26(19)3)22(31)27-9-5-6-10-27/h14H,4-13,15H2,1-3H3
InChIKeyFTZVZSKJJSUYIJ-UHFFFAOYSA-N
XLogP1.93
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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-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
[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-[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-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068231
N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146070525
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914
(1-ethyl-5-methylpyrazol-4-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 74239484
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
1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067908
N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146070527

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCn1ncc(C(=O)N2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)c1C.
What is the InChIKey of (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?
The InChIKey is FTZVZSKJJSUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-4-29-16(2)17(14-24-29)21(30)28-11-7-23(8-12-28)13-19-18(15-32-23)20(25-26(19)3)22(31)27-9-5-6-10-27/h14H,4-13,15H2,1-3H3.
What are the key properties of (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?
(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 has a molecular weight of 440.55 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146068246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).