6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one

C20H16N6O2 — CID 58936034

IUPAC6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(COc3cc(Nc4n[nH]c5ccccc45)ccn3)ccc12
InChIInChI=1S/C20H16N6O2/c27-20-15-6-5-12(9-17(15)24-26-20)11-28-18-10-13(7-8-21-18)22-19-14-3-1-2-4-16(14)23-25-19/h1-10H,11H2,(H2,24,26,27)(H2,21,22,23,25)
InChIKeyGVYZAIZXBQLOIE-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.45
Rot. Bonds5

About 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one

6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one (PubChem CID 58936034) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one
PubChem CID58936034
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(COc3cc(Nc4n[nH]c5ccccc45)ccn3)ccc12
InChIInChI=1S/C20H16N6O2/c27-20-15-6-5-12(9-17(15)24-26-20)11-28-18-10-13(7-8-21-18)22-19-14-3-1-2-4-16(14)23-25-19/h1-10H,11H2,(H2,24,26,27)(H2,21,22,23,25)
InChIKeyGVYZAIZXBQLOIE-UHFFFAOYSA-N
XLogP3.45
TPSA111.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one (CID 58936034) is 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(COc3cc(Nc4n[nH]c5ccccc45)ccn3)ccc12.
What is the InChIKey of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one?
The InChIKey is GVYZAIZXBQLOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-20-15-6-5-12(9-17(15)24-26-20)11-28-18-10-13(7-8-21-18)22-19-14-3-1-2-4-16(14)23-25-19/h1-10H,11H2,(H2,24,26,27)(H2,21,22,23,25).
What are the key properties of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one?
6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one has a molecular weight of 372.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).