N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine

C18H19ClIN5O — CID 176655147

IUPACN-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine
SMILESCc1nc(Cl)c(I)c(Nc2c(C)ccc3c2cnn3C2CCCCO2)n1
InChIInChI=1S/C18H19ClIN5O/c1-10-6-7-13-12(9-21-25(13)14-5-3-4-8-26-14)16(10)24-18-15(20)17(19)22-11(2)23-18/h6-7,9,14H,3-5,8H2,1-2H3,(H,22,23,24)
InChIKeyZUQDEXMONXXCND-UHFFFAOYSA-N
MW483.74 g/mol
LogP5.14
Rot. Bonds3

About N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine

N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine (PubChem CID 176655147) has the molecular formula C18H19ClIN5O and a molecular weight of 483.74 g/mol. Its IUPAC name is N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine.

Molecular Properties

Compound NameN-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine
PubChem CID176655147
Molecular FormulaC18H19ClIN5O
Molecular Weight483.74 g/mol
Exact Mass483.03
IUPAC NameN-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine
SMILESCc1nc(Cl)c(I)c(Nc2c(C)ccc3c2cnn3C2CCCCO2)n1
InChIInChI=1S/C18H19ClIN5O/c1-10-6-7-13-12(9-21-25(13)14-5-3-4-8-26-14)16(10)24-18-15(20)17(19)22-11(2)23-18/h6-7,9,14H,3-5,8H2,1-2H3,(H,22,23,24)
InChIKeyZUQDEXMONXXCND-UHFFFAOYSA-N
XLogP5.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
3-methyl-4-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-1-oxidoquinolin-1-ium
CID 170548642
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
CID 178018564
CID 178018564
1-[(2S)-oxan-2-yl]indazole
CID 124562379
7-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrido[4,3-d]pyrimidine
CID 175883643
2-[[5-iodo-1-(oxan-2-yl)indazol-4-yl]methyl]isoindole-1,3-dione
CID 142521999
1-(oxan-2-yl)-5-pent-1-ynylindazole
CID 66793301

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine?
The IUPAC name of N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine (CID 176655147) is N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine.
What is the SMILES notation for N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine?
The canonical SMILES for N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine is Cc1nc(Cl)c(I)c(Nc2c(C)ccc3c2cnn3C2CCCCO2)n1.
What is the InChIKey of N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine?
The InChIKey is ZUQDEXMONXXCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClIN5O/c1-10-6-7-13-12(9-21-25(13)14-5-3-4-8-26-14)16(10)24-18-15(20)17(19)22-11(2)23-18/h6-7,9,14H,3-5,8H2,1-2H3,(H,22,23,24).
What are the key properties of N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine?
N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine has a molecular weight of 483.74 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-iodo-2-methylpyrimidin-4-yl)-5-methyl-1-(oxan-2-yl)indazol-4-amine is sourced from PubChem (CID 176655147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).