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

C19H21IN4O — CID 57446060

IUPAC5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol
SMILESOc1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)ccc1I
InChIInChI=1S/C19H21IN4O/c20-17-5-3-13(8-19(17)25)11-24-7-1-2-16(12-24)22-15-4-6-18-14(9-15)10-21-23-18/h3-6,8-10,16,22,25H,1-2,7,11-12H2,(H,21,23)
InChIKeyYZCJAYGUDYIBGT-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.95
Rot. Bonds4

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

5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol (PubChem CID 57446060) has the molecular formula C19H21IN4O and a molecular weight of 448.31 g/mol. Its IUPAC name is 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol.

Molecular Properties

Compound Name5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol
PubChem CID57446060
Molecular FormulaC19H21IN4O
Molecular Weight448.31 g/mol
Exact Mass448.08
IUPAC Name5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol
SMILESOc1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)ccc1I
InChIInChI=1S/C19H21IN4O/c20-17-5-3-13(8-19(17)25)11-24-7-1-2-16(12-24)22-15-4-6-18-14(9-15)10-21-23-18/h3-6,8-10,16,22,25H,1-2,7,11-12H2,(H,21,23)
InChIKeyYZCJAYGUDYIBGT-UHFFFAOYSA-N
XLogP3.95
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-(3,5-dimethoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098475
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
Fgfr2-IN-2
CID 157049298
4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162643640
4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol
CID 162676829
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009894
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 25009895
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 25010076
2-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 25010079
3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
CID 25010080
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010081

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol?
The IUPAC name of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol (CID 57446060) is 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol.
What is the SMILES notation for 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol?
The canonical SMILES for 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol is Oc1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)ccc1I.
What is the InChIKey of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol?
The InChIKey is YZCJAYGUDYIBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN4O/c20-17-5-3-13(8-19(17)25)11-24-7-1-2-16(12-24)22-15-4-6-18-14(9-15)10-21-23-18/h3-6,8-10,16,22,25H,1-2,7,11-12H2,(H,21,23).
What are the key properties of 5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol?
5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-iodophenol has a molecular weight of 448.31 g/mol, XLogP of 3.95, 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-iodophenol is sourced from PubChem (CID 57446060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).