N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C20H22N6O2 — CID 134198051

IUPACN-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCC2CCCCO2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H22N6O2/c1-26-17-11-13(22-19-18-16(23-24-19)6-4-9-21-18)7-8-15(17)20(25-26)28-12-14-5-2-3-10-27-14/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H2,22,23,24)
InChIKeyYAOMEMJAWYJKIY-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.54
Rot. Bonds5

About N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134198051) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134198051
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCC2CCCCO2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H22N6O2/c1-26-17-11-13(22-19-18-16(23-24-19)6-4-9-21-18)7-8-15(17)20(25-26)28-12-14-5-2-3-10-27-14/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H2,22,23,24)
InChIKeyYAOMEMJAWYJKIY-UHFFFAOYSA-N
XLogP3.54
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134198051) is N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OCC2CCCCO2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is YAOMEMJAWYJKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-26-17-11-13(22-19-18-16(23-24-19)6-4-9-21-18)7-8-15(17)20(25-26)28-12-14-5-2-3-10-27-14/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H2,22,23,24).
What are the key properties of N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 378.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134198051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).