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

C18H20N6O — CID 134192062

IUPACN-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H20N6O/c1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16/h4-9,11H,10H2,1-3H3,(H2,20,21,22)
InChIKeyNVYIGPPKIZFCPM-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.62
Rot. Bonds5

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

N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192062) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192062
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C18H20N6O/c1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16/h4-9,11H,10H2,1-3H3,(H2,20,21,22)
InChIKeyNVYIGPPKIZFCPM-UHFFFAOYSA-N
XLogP3.62
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192062) is N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is CC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is NVYIGPPKIZFCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16/h4-9,11H,10H2,1-3H3,(H2,20,21,22).
What are the key properties of N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 336.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).