6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one

C18H20N4O2 — CID 58936071

IUPAC6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(OCC3CCCC3Nc3ccccn3)ccc12
InChIInChI=1S/C18H20N4O2/c23-18-14-8-7-13(10-16(14)21-22-18)24-11-12-4-3-5-15(12)20-17-6-1-2-9-19-17/h1-2,6-10,12,15H,3-5,11H2,(H,19,20)(H2,21,22,23)
InChIKeyKDGZCGXKNMAOFR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.91
Rot. Bonds5

About 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one

6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one (PubChem CID 58936071) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one
PubChem CID58936071
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(OCC3CCCC3Nc3ccccn3)ccc12
InChIInChI=1S/C18H20N4O2/c23-18-14-8-7-13(10-16(14)21-22-18)24-11-12-4-3-5-15(12)20-17-6-1-2-9-19-17/h1-2,6-10,12,15H,3-5,11H2,(H,19,20)(H2,21,22,23)
InChIKeyKDGZCGXKNMAOFR-UHFFFAOYSA-N
XLogP2.91
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one (CID 58936071) is 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(OCC3CCCC3Nc3ccccn3)ccc12.
What is the InChIKey of 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
The InChIKey is KDGZCGXKNMAOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18-14-8-7-13(10-16(14)21-22-18)24-11-12-4-3-5-15(12)20-17-6-1-2-9-19-17/h1-2,6-10,12,15H,3-5,11H2,(H,19,20)(H2,21,22,23).
What are the key properties of 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one has a molecular weight of 324.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(pyridin-2-ylamino)cyclopentyl]methoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).