spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

C18H19N5O2S — CID 176501357

IUPACspiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)n[nH]1)N1CCC2(CC1)OCCc1cn[nH]c12
InChIInChI=1S/C18H19N5O2S/c24-17(15-9-14(20-21-15)13-2-8-26-11-13)23-5-3-18(4-6-23)16-12(1-7-25-18)10-19-22-16/h2,8-11H,1,3-7H2,(H,19,22)(H,20,21)
InChIKeyNYYPHDLBTZAQHM-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.57
Rot. Bonds2

About spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 176501357) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Namespiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID176501357
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Namespiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)n[nH]1)N1CCC2(CC1)OCCc1cn[nH]c12
InChIInChI=1S/C18H19N5O2S/c24-17(15-9-14(20-21-15)13-2-8-26-11-13)23-5-3-18(4-6-23)16-12(1-7-25-18)10-19-22-16/h2,8-11H,1,3-7H2,(H,19,22)(H,20,21)
InChIKeyNYYPHDLBTZAQHM-UHFFFAOYSA-N
XLogP2.57
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163306291
[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176503159
[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176504904
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943
[3-(2-methylphenyl)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 70757998
[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 164688192
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
1'-[(3,5-difluorophenyl)methyl]spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]
CID 176506859
(6S)-2-(2-methoxyethyl)-8-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97280661
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
CID 135119505
[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 45185678

Frequently Asked Questions

What is the IUPAC name of spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (CID 176501357) is spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC2(CC1)OCCc1cn[nH]c12.
What is the InChIKey of spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is NYYPHDLBTZAQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-17(15-9-14(20-21-15)13-2-8-26-11-13)23-5-3-18(4-6-23)16-12(1-7-25-18)10-19-22-16/h2,8-11H,1,3-7H2,(H,19,22)(H,20,21).
What are the key properties of spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 369.45 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 176501357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).