2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C19H20ClN3OS — CID 164725764

IUPAC2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC1CC2(CC(c3ccc4[nH]ncc4c3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C19H20ClN3OS/c1-11-8-19(18-13(4-5-24-19)7-17(20)25-18)9-16(22-11)12-2-3-15-14(6-12)10-21-23-15/h2-3,6-7,10-11,16,22H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyASKHNIKWISMNAC-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.56
Rot. Bonds1

About 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164725764) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164725764
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC1CC2(CC(c3ccc4[nH]ncc4c3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C19H20ClN3OS/c1-11-8-19(18-13(4-5-24-19)7-17(20)25-18)9-16(22-11)12-2-3-15-14(6-12)10-21-23-15/h2-3,6-7,10-11,16,22H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyASKHNIKWISMNAC-UHFFFAOYSA-N
XLogP4.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]pyrimidin-2-amine
CID 164725799
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(5-methyl-2H-pyrrol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 165027170
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(3-methylpyrazin-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726079
2-chloro-2'-[2-(2-methoxyphenyl)pyrimidin-5-yl]-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725702
(2'S,6'S,7S)-2-chloro-2'-cyclopropyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725563
5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)cyclohexa-2,4-dien-1-one
CID 164980481
7-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2,3-dihydro-1,3-benzoxazol-2-ol
CID 167024087
1-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-N,N-dimethylcyclopropan-1-amine
CID 164725960
2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]
CID 167024424
(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
CID 170657754
(2'S,6'S)-2-chloro-2'-methyl-6'-(1-methylpyrazol-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 177273141
(2'S,4S,6'S)-2-chloro-2'-methyl-6'-(1-methyltriazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164725764) is 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CC1CC2(CC(c3ccc4[nH]ncc4c3)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is ASKHNIKWISMNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-11-8-19(18-13(4-5-24-19)7-17(20)25-18)9-16(22-11)12-2-3-15-14(6-12)10-21-23-15/h2-3,6-7,10-11,16,22H,4-5,8-9H2,1H3,(H,21,23).
What are the key properties of 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 373.91 g/mol, XLogP of 4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2'-(1H-indazol-5-yl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164725764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).