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

C18H18N6O2 — CID 134192009

IUPACN-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C18H18N6O2/c1-24-15-9-11(20-17-16-14(21-22-17)3-2-7-19-16)4-5-13(15)18(23-24)26-12-6-8-25-10-12/h2-5,7,9,12H,6,8,10H2,1H3,(H2,20,21,22)
InChIKeyKHHYYDIPGYGMPO-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.76
Rot. Bonds4

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

N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192009) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192009
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OC2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C18H18N6O2/c1-24-15-9-11(20-17-16-14(21-22-17)3-2-7-19-16)4-5-13(15)18(23-24)26-12-6-8-25-10-12/h2-5,7,9,12H,6,8,10H2,1H3,(H2,20,21,22)
InChIKeyKHHYYDIPGYGMPO-UHFFFAOYSA-N
XLogP2.76
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.76
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-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192009) is N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OC2CCOC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is KHHYYDIPGYGMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-24-15-9-11(20-17-16-14(21-22-17)3-2-7-19-16)4-5-13(15)18(23-24)26-12-6-8-25-10-12/h2-5,7,9,12H,6,8,10H2,1H3,(H2,20,21,22).
What are the key properties of N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 350.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(oxolan-3-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).