6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile

C20H14N8O — CID 134192170

IUPAC6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile
SMILESCn1nc(Oc2cccc(C#N)n2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H14N8O/c1-28-16-10-12(24-19-18-15(25-26-19)5-3-9-22-18)7-8-14(16)20(27-28)29-17-6-2-4-13(11-21)23-17/h2-10H,1H3,(H2,24,25,26)
InChIKeyVCCBLRYWLGIDRH-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.65
Rot. Bonds4

About 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile

6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile (PubChem CID 134192170) has the molecular formula C20H14N8O and a molecular weight of 382.39 g/mol. Its IUPAC name is 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile
PubChem CID134192170
Molecular FormulaC20H14N8O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile
SMILESCn1nc(Oc2cccc(C#N)n2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H14N8O/c1-28-16-10-12(24-19-18-15(25-26-19)5-3-9-22-18)7-8-14(16)20(27-28)29-17-6-2-4-13(11-21)23-17/h2-10H,1H3,(H2,24,25,26)
InChIKeyVCCBLRYWLGIDRH-UHFFFAOYSA-N
XLogP3.65
TPSA117.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile (CID 134192170) is 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile is Cn1nc(Oc2cccc(C#N)n2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?
The InChIKey is VCCBLRYWLGIDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8O/c1-28-16-10-12(24-19-18-15(25-26-19)5-3-9-22-18)7-8-14(16)20(27-28)29-17-6-2-4-13(11-21)23-17/h2-10H,1H3,(H2,24,25,26).
What are the key properties of 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile?
6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile has a molecular weight of 382.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 134192170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).