5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol

C20H24N4O — CID 57446053

IUPAC5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1O
InChIInChI=1S/C20H24N4O/c1-14-4-5-15(9-20(14)25)12-24-8-2-3-18(13-24)22-17-6-7-19-16(10-17)11-21-23-19/h4-7,9-11,18,22,25H,2-3,8,12-13H2,1H3,(H,21,23)
InChIKeyFUXNTHGNLGWQIQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.65
Rot. Bonds4

About 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol

5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol (PubChem CID 57446053) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol.

Molecular Properties

Compound Name5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol
PubChem CID57446053
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol
SMILESCc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1O
InChIInChI=1S/C20H24N4O/c1-14-4-5-15(9-20(14)25)12-24-8-2-3-18(13-24)22-17-6-7-19-16(10-17)11-21-23-19/h4-7,9-11,18,22,25H,2-3,8,12-13H2,1H3,(H,21,23)
InChIKeyFUXNTHGNLGWQIQ-UHFFFAOYSA-N
XLogP3.65
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol?
The IUPAC name of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol (CID 57446053) is 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol.
What is the SMILES notation for 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol?
The canonical SMILES for 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol is Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1O.
What is the InChIKey of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol?
The InChIKey is FUXNTHGNLGWQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-4-5-15(9-20(14)25)12-24-8-2-3-18(13-24)22-17-6-7-19-16(10-17)11-21-23-19/h4-7,9-11,18,22,25H,2-3,8,12-13H2,1H3,(H,21,23).
What are the key properties of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol?
5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol has a molecular weight of 336.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenol is sourced from PubChem (CID 57446053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).