N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C21H15N7O — CID 134192085

IUPACN-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC#Cc1ccc(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)nc1
InChIInChI=1S/C21H15N7O/c1-3-13-6-9-18(23-12-13)29-21-15-8-7-14(11-17(15)28(2)27-21)24-20-19-16(25-26-20)5-4-10-22-19/h1,4-12H,2H3,(H2,24,25,26)
InChIKeyYZBHYKOEGJRAAL-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.76
Rot. Bonds4

About N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192085) has the molecular formula C21H15N7O and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192085
Molecular FormulaC21H15N7O
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC NameN-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC#Cc1ccc(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)nc1
InChIInChI=1S/C21H15N7O/c1-3-13-6-9-18(23-12-13)29-21-15-8-7-14(11-17(15)28(2)27-21)24-20-19-16(25-26-20)5-4-10-22-19/h1,4-12H,2H3,(H2,24,25,26)
InChIKeyYZBHYKOEGJRAAL-UHFFFAOYSA-N
XLogP3.76
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192085) is N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is C#Cc1ccc(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)nc1.
What is the InChIKey of N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is YZBHYKOEGJRAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O/c1-3-13-6-9-18(23-12-13)29-21-15-8-7-14(11-17(15)28(2)27-21)24-20-19-16(25-26-20)5-4-10-22-19/h1,4-12H,2H3,(H2,24,25,26).
What are the key properties of N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 381.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).