N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C20H22N6O2S — CID 161453959

IUPACN-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=S1(=O)CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H22N6O2S/c1-26-17-12-13(22-19-18-16(23-24-19)4-3-9-21-18)5-6-15(17)20(25-26)28-14-7-10-29(2,27)11-8-14/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H2,22,23,24)
InChIKeyZTUQQMOGDLQKGU-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.85
Rot. Bonds4

About N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 161453959) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID161453959
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=S1(=O)CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H22N6O2S/c1-26-17-12-13(22-19-18-16(23-24-19)4-3-9-21-18)5-6-15(17)20(25-26)28-14-7-10-29(2,27)11-8-14/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H2,22,23,24)
InChIKeyZTUQQMOGDLQKGU-UHFFFAOYSA-N
XLogP2.85
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192152
N-(3-cyclopropyl-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191934
N-(4-chloro-3-cyclobutyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192015
N-(1-methyl-3-pyridin-4-ylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192051
1-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]pyrrolidin-2-one
CID 134192099
N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 147855692
N-(3-cyclopropyl-1-propan-2-ylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191945
3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190181
(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
CID 158866681
N-(1-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198363
3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190190
1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191539

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 161453959) is N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is C=S1(=O)CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is ZTUQQMOGDLQKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-26-17-12-13(22-19-18-16(23-24-19)4-3-9-21-18)5-6-15(17)20(25-26)28-14-7-10-29(2,27)11-8-14/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H2,22,23,24).
What are the key properties of N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 410.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 161453959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).