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

C23H35N5O4 — CID 146068242

IUPAC1-[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
SMILESCn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C(=O)CCN3CCOCC3)CC1)OC2
InChIInChI=1S/C23H35N5O4/c1-25-19-16-23(32-17-18(19)21(24-25)22(30)28-7-2-3-8-28)5-10-27(11-6-23)20(29)4-9-26-12-14-31-15-13-26/h2-17H2,1H3
InChIKeyNHFDAXGVSNCQIH-UHFFFAOYSA-N
MW445.56 g/mol
LogP0.81
Rot. Bonds4

About 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

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 (PubChem CID 146068242) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID146068242
Molecular FormulaC23H35N5O4
Molecular Weight445.56 g/mol
Exact Mass445.27
IUPAC Name1-[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
SMILESCn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C(=O)CCN3CCOCC3)CC1)OC2
InChIInChI=1S/C23H35N5O4/c1-25-19-16-23(32-17-18(19)21(24-25)22(30)28-7-2-3-8-28)5-10-27(11-6-23)20(29)4-9-26-12-14-31-15-13-26/h2-17H2,1H3
InChIKeyNHFDAXGVSNCQIH-UHFFFAOYSA-N
XLogP0.81
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068231
(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
1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067908
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butane-1,4-dione
CID 53017967
N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069600
N-(cyclopropylmethyl)-1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069585
N-(cyclopropylmethyl)-1-methyl-1'-(1-methylpyrrole-2-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069573
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C(=O)CCN3CCOCC3)CC1)OC2.
What is the InChIKey of 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?
The InChIKey is NHFDAXGVSNCQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-25-19-16-23(32-17-18(19)21(24-25)22(30)28-7-2-3-8-28)5-10-27(11-6-23)20(29)4-9-26-12-14-31-15-13-26/h2-17H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 445.56 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146068242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).