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

C20H14N8O — CID 134192173

IUPAC6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
SMILESCn1nc(Oc2ccc(C#N)cn2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H14N8O/c1-28-16-9-13(24-19-18-15(25-26-19)3-2-8-22-18)5-6-14(16)20(27-28)29-17-7-4-12(10-21)11-23-17/h2-9,11H,1H3,(H2,24,25,26)
InChIKeyLRVPVXWAXWFPNW-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-3-carbonitrile

6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile (PubChem CID 134192173) 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-3-carbonitrile.

Molecular Properties

Compound Name6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile
PubChem CID134192173
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-3-carbonitrile
SMILESCn1nc(Oc2ccc(C#N)cn2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H14N8O/c1-28-16-9-13(24-19-18-15(25-26-19)3-2-8-22-18)5-6-14(16)20(27-28)29-17-7-4-12(10-21)11-23-17/h2-9,11H,1H3,(H2,24,25,26)
InChIKeyLRVPVXWAXWFPNW-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-3-carbonitrile?
The IUPAC name of 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile (CID 134192173) is 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile is Cn1nc(Oc2ccc(C#N)cn2)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-3-carbonitrile?
The InChIKey is LRVPVXWAXWFPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8O/c1-28-16-9-13(24-19-18-15(25-26-19)3-2-8-22-18)5-6-14(16)20(27-28)29-17-7-4-12(10-21)11-23-17/h2-9,11H,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-3-carbonitrile?
6-[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 6-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 134192173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).