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

C20H17N7O — CID 134192058

IUPACN-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCc2ccccn2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H17N7O/c1-27-17-11-13(23-19-18-16(24-25-19)6-4-10-22-18)7-8-15(17)20(26-27)28-12-14-5-2-3-9-21-14/h2-11H,12H2,1H3,(H2,23,24,25)
InChIKeyYXZHPTFHMOSBRX-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.56
Rot. Bonds5

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

N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192058) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192058
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCc2ccccn2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H17N7O/c1-27-17-11-13(23-19-18-16(24-25-19)6-4-10-22-18)7-8-15(17)20(26-27)28-12-14-5-2-3-9-21-14/h2-11H,12H2,1H3,(H2,23,24,25)
InChIKeyYXZHPTFHMOSBRX-UHFFFAOYSA-N
XLogP3.56
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.56
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-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192058) is N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OCc2ccccn2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is YXZHPTFHMOSBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-27-17-11-13(23-19-18-16(24-25-19)6-4-10-22-18)7-8-15(17)20(26-27)28-12-14-5-2-3-9-21-14/h2-11H,12H2,1H3,(H2,23,24,25).
What are the key properties of N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 371.40 g/mol, XLogP of 3.56, 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-(pyridin-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).