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

C18H23N5O3S — CID 146070527

IUPACN,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1COC1(CCN(C(=O)c3cscn3)CC1)C2
InChIInChI=1S/C18H23N5O3S/c1-21(2)17(25)15-12-9-26-18(8-14(12)22(3)20-15)4-6-23(7-5-18)16(24)13-10-27-11-19-13/h10-11H,4-9H2,1-3H3
InChIKeyHIQOLZQUMCYFRC-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.33
Rot. Bonds2

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

N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146070527) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146070527
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1COC1(CCN(C(=O)c3cscn3)CC1)C2
InChIInChI=1S/C18H23N5O3S/c1-21(2)17(25)15-12-9-26-18(8-14(12)22(3)20-15)4-6-23(7-5-18)16(24)13-10-27-11-19-13/h10-11H,4-9H2,1-3H3
InChIKeyHIQOLZQUMCYFRC-UHFFFAOYSA-N
XLogP1.33
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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,N,1-trimethylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 176515432
(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-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-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-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068231
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-[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
4-(cyclopropylmethyl)-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471430
1'-(3-methoxybenzoyl)-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068271
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of 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) is N,N,1-trimethyl-1'-(1,3-thiazole-4-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'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1COC1(CCN(C(=O)c3cscn3)CC1)C2.
What is the InChIKey of N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is HIQOLZQUMCYFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-21(2)17(25)15-12-9-26-18(8-14(12)22(3)20-15)4-6-23(7-5-18)16(24)13-10-27-11-19-13/h10-11H,4-9H2,1-3H3.
What are the key properties of N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-1'-(1,3-thiazole-4-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146070527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).