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

C20H14N8O — CID 134192101

IUPAC2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
SMILESCn1nc(Oc2ncccc2C#N)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H14N8O/c1-28-16-10-13(24-18-17-15(25-26-18)5-3-8-22-17)6-7-14(16)20(27-28)29-19-12(11-21)4-2-9-23-19/h2-10H,1H3,(H2,24,25,26)
InChIKeyWQURRVGDFSRITP-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.65
Rot. Bonds4

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

2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile (PubChem CID 134192101) has the molecular formula C20H14N8O and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
PubChem CID134192101
Molecular FormulaC20H14N8O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
SMILESCn1nc(Oc2ncccc2C#N)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H14N8O/c1-28-16-10-13(24-18-17-15(25-26-18)5-3-8-22-17)6-7-14(16)20(27-28)29-19-12(11-21)4-2-9-23-19/h2-10H,1H3,(H2,24,25,26)
InChIKeyWQURRVGDFSRITP-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 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile (CID 134192101) is 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile is Cn1nc(Oc2ncccc2C#N)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is WQURRVGDFSRITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8O/c1-28-16-10-13(24-18-17-15(25-26-18)5-3-8-22-17)6-7-14(16)20(27-28)29-19-12(11-21)4-2-9-23-19/h2-10H,1H3,(H2,24,25,26).
What are the key properties of 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-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 2-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 134192101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).