N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

C21H26N4O2S — CID 169418054

IUPACN-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESCc1ccc(N2CCC3(CC2)OCCc2cc(C(=O)NCC4CC4)sc23)nn1
InChIInChI=1S/C21H26N4O2S/c1-14-2-5-18(24-23-14)25-9-7-21(8-10-25)19-16(6-11-27-21)12-17(28-19)20(26)22-13-15-3-4-15/h2,5,12,15H,3-4,6-11,13H2,1H3,(H,22,26)
InChIKeyUATBBMNTZTVUSC-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.05
Rot. Bonds4

About N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (PubChem CID 169418054) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
PubChem CID169418054
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESCc1ccc(N2CCC3(CC2)OCCc2cc(C(=O)NCC4CC4)sc23)nn1
InChIInChI=1S/C21H26N4O2S/c1-14-2-5-18(24-23-14)25-9-7-21(8-10-25)19-16(6-11-27-21)12-17(28-19)20(26)22-13-15-3-4-15/h2,5,12,15H,3-4,6-11,13H2,1H3,(H,22,26)
InChIKeyUATBBMNTZTVUSC-UHFFFAOYSA-N
XLogP3.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(2-methylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164692421
N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169416129
1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169417775
1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride
CID 154922676
1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506139
N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162633332
formic acid;methyl 2-[[1'-(2,3-dihydroxypropyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl]amino]acetate
CID 171712703
1'-[(2-amino-3-pyridinyl)methyl]-N-propan-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506393
N-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 163306765
N-[(4-methylphenyl)methyl]-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 142419321
acetic acid;2-(6-thiomorpholin-4-ylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 155972643
(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388445

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (CID 169418054) is N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is Cc1ccc(N2CCC3(CC2)OCCc2cc(C(=O)NCC4CC4)sc23)nn1.
What is the InChIKey of N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The InChIKey is UATBBMNTZTVUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-14-2-5-18(24-23-14)25-9-7-21(8-10-25)19-16(6-11-27-21)12-17(28-19)20(26)22-13-15-3-4-15/h2,5,12,15H,3-4,6-11,13H2,1H3,(H,22,26).
What are the key properties of N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 169418054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).