N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C19H20N6O3S — CID 134192152

IUPACN-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2CCS(=O)(=O)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H20N6O3S/c1-25-16-11-12(21-18-17-15(22-23-18)3-2-8-20-17)4-5-14(16)19(24-25)28-13-6-9-29(26,27)10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,21,22,23)
InChIKeyXAIIBRDBNUZXPG-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.54
Rot. Bonds4

About N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192152) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192152
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2CCS(=O)(=O)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H20N6O3S/c1-25-16-11-12(21-18-17-15(22-23-18)3-2-8-20-17)4-5-14(16)19(24-25)28-13-6-9-29(26,27)10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,21,22,23)
InChIKeyXAIIBRDBNUZXPG-UHFFFAOYSA-N
XLogP2.54
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 161453959
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-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
N-(3-cyclopropyl-1-ethenylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 147855692
N-(1-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198363
N-(3-cyclopropyl-1-methylindazol-6-yl)-6-fluoro-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192016
2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
CID 162655927
3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190190

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192152) is N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OC2CCS(=O)(=O)CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is XAIIBRDBNUZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-25-16-11-12(21-18-17-15(22-23-18)3-2-8-20-17)4-5-14(16)19(24-25)28-13-6-9-29(26,27)10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,21,22,23).
What are the key properties of N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 412.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).