6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile

C20H13ClN8O — CID 134192160

IUPAC6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
SMILESCn1nc(Oc2ccc(C#N)cn2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H13ClN8O/c1-29-15-8-12(25-19-18-14(26-27-19)3-2-6-23-18)7-13(21)17(15)20(28-29)30-16-5-4-11(9-22)10-24-16/h2-8,10H,1H3,(H2,25,26,27)
InChIKeyOGSJJQNXEOSLOM-UHFFFAOYSA-N
MW416.83 g/mol
LogP4.30
Rot. Bonds4

About 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile

6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile (PubChem CID 134192160) has the molecular formula C20H13ClN8O and a molecular weight of 416.83 g/mol. Its IUPAC name is 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
PubChem CID134192160
Molecular FormulaC20H13ClN8O
Molecular Weight416.83 g/mol
Exact Mass416.09
IUPAC Name6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
SMILESCn1nc(Oc2ccc(C#N)cn2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H13ClN8O/c1-29-15-8-12(25-19-18-14(26-27-19)3-2-6-23-18)7-13(21)17(15)20(28-29)30-16-5-4-11(9-22)10-24-16/h2-8,10H,1H3,(H2,25,26,27)
InChIKeyOGSJJQNXEOSLOM-UHFFFAOYSA-N
XLogP4.30
TPSA117.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile (CID 134192160) is 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile is Cn1nc(Oc2ccc(C#N)cn2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is OGSJJQNXEOSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN8O/c1-29-15-8-12(25-19-18-14(26-27-19)3-2-6-23-18)7-13(21)17(15)20(28-29)30-16-5-4-11(9-22)10-24-16/h2-8,10H,1H3,(H2,25,26,27).
What are the key properties of 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 416.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 134192160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).