1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane

C22H23N7OS — CID 156577960

IUPAC1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane
SMILES[H]N=S1CCN(c2ccc(-c3n[nH]c4ccc(OC(C)c5ccncn5)cc34)cn2)CC1
InChIInChI=1S/C22H23N7OS/c1-15(19-6-7-24-14-26-19)30-17-3-4-20-18(12-17)22(28-27-20)16-2-5-21(25-13-16)29-8-10-31(23)11-9-29/h2-7,12-15,23H,8-11H2,1H3,(H,27,28)
InChIKeyOIMVSNOBEPYOOS-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.76
Rot. Bonds5

About 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane

1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane (PubChem CID 156577960) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane.

Molecular Properties

Compound Name1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane
PubChem CID156577960
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane
SMILES[H]N=S1CCN(c2ccc(-c3n[nH]c4ccc(OC(C)c5ccncn5)cc34)cn2)CC1
InChIInChI=1S/C22H23N7OS/c1-15(19-6-7-24-14-26-19)30-17-3-4-20-18(12-17)22(28-27-20)16-2-5-21(25-13-16)29-8-10-31(23)11-9-29/h2-7,12-15,23H,8-11H2,1H3,(H,27,28)
InChIKeyOIMVSNOBEPYOOS-UHFFFAOYSA-N
XLogP3.76
TPSA103.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156577910
3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156578148
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazole;dihydrochloride
CID 174222780
4-[5-[5-[1-(3,5-difluoro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1-imino-1,4-thiazinane 1-oxide
CID 156565605
1-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,4-diazepan-5-one
CID 174222988
[4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 171408692
3-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
CID 167155919
8-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-2-one
CID 174223254
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 170647464
7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide
CID 174222829
1-[6-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,2,2-trifluoroethanone
CID 171408881
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(8-methylsulfonyl-2,8-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-1H-indazole
CID 174223300

Frequently Asked Questions

What is the IUPAC name of 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane?
The IUPAC name of 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane (CID 156577960) is 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane.
What is the SMILES notation for 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane?
The canonical SMILES for 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane is [H]N=S1CCN(c2ccc(-c3n[nH]c4ccc(OC(C)c5ccncn5)cc34)cn2)CC1.
What is the InChIKey of 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane?
The InChIKey is OIMVSNOBEPYOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-15(19-6-7-24-14-26-19)30-17-3-4-20-18(12-17)22(28-27-20)16-2-5-21(25-13-16)29-8-10-31(23)11-9-29/h2-7,12-15,23H,8-11H2,1H3,(H,27,28).
What are the key properties of 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane?
1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane has a molecular weight of 433.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4-[5-[5-(1-pyrimidin-4-ylethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1,4-thiazinane is sourced from PubChem (CID 156577960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).