N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C21H27N5O3 — CID 146070525

IUPACN,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)Cc1c(c(C(=O)N(C)C)nn1C)CO2
InChIInChI=1S/C21H27N5O3/c1-14-5-8-22-12-15(14)19(27)26-9-6-21(7-10-26)11-17-16(13-29-21)18(23-25(17)4)20(28)24(2)3/h5,8,12H,6-7,9-11,13H2,1-4H3
InChIKeyYBAAQZITHOXHGZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.57
Rot. Bonds2

About N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146070525) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146070525
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)Cc1c(c(C(=O)N(C)C)nn1C)CO2
InChIInChI=1S/C21H27N5O3/c1-14-5-8-22-12-15(14)19(27)26-9-6-21(7-10-26)11-17-16(13-29-21)18(23-25(17)4)20(28)24(2)3/h5,8,12H,6-7,9-11,13H2,1-4H3
InChIKeyYBAAQZITHOXHGZ-UHFFFAOYSA-N
XLogP1.57
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
N,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 176515432
(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-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
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914
1'-(3-methoxybenzoyl)-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068271
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-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
[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068231
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
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

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146070525) is N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is Cc1ccncc1C(=O)N1CCC2(CC1)Cc1c(c(C(=O)N(C)C)nn1C)CO2.
What is the InChIKey of N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is YBAAQZITHOXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14-5-8-22-12-15(14)19(27)26-9-6-21(7-10-26)11-17-16(13-29-21)18(23-25(17)4)20(28)24(2)3/h5,8,12H,6-7,9-11,13H2,1-4H3.
What are the key properties of N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-1'-(4-methylpyridine-3-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146070525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).