6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one

C17H21N5O2 — CID 58936056

IUPAC6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one
SMILESCn1cnc(NC2CCCC2COc2ccc3c(=O)[nH][nH]c3c2)c1
InChIInChI=1S/C17H21N5O2/c1-22-8-16(18-10-22)19-14-4-2-3-11(14)9-24-12-5-6-13-15(7-12)20-21-17(13)23/h5-8,10-11,14,19H,2-4,9H2,1H3,(H2,20,21,23)
InChIKeyMEAWTZHGRWAQKR-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.25
Rot. Bonds5

About 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one

6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one (PubChem CID 58936056) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one
PubChem CID58936056
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one
SMILESCn1cnc(NC2CCCC2COc2ccc3c(=O)[nH][nH]c3c2)c1
InChIInChI=1S/C17H21N5O2/c1-22-8-16(18-10-22)19-14-4-2-3-11(14)9-24-12-5-6-13-15(7-12)20-21-17(13)23/h5-8,10-11,14,19H,2-4,9H2,1H3,(H2,20,21,23)
InChIKeyMEAWTZHGRWAQKR-UHFFFAOYSA-N
XLogP2.25
TPSA87.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one (CID 58936056) is 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one is Cn1cnc(NC2CCCC2COc2ccc3c(=O)[nH][nH]c3c2)c1.
What is the InChIKey of 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
The InChIKey is MEAWTZHGRWAQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-22-8-16(18-10-22)19-14-4-2-3-11(14)9-24-12-5-6-13-15(7-12)20-21-17(13)23/h5-8,10-11,14,19H,2-4,9H2,1H3,(H2,20,21,23).
What are the key properties of 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one?
6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one has a molecular weight of 327.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).