[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol

C24H24Cl2N4O3 — CID 146383260

IUPAC[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(O)c4ccc(N(C)C)cc4)n[nH]c3c2)c1Cl
InChIInChI=1S/C24H24Cl2N4O3/c1-30(2)15-8-5-13(6-9-15)24(31)27-23-16-10-7-14(11-17(16)28-29-23)20-21(25)18(32-3)12-19(33-4)22(20)26/h5-12,24,31H,1-4H3,(H2,27,28,29)
InChIKeyHYXHTMWBVWBMPE-UHFFFAOYSA-N
MW487.39 g/mol
LogP5.72
Rot. Bonds7

About [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol

[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol (PubChem CID 146383260) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol
PubChem CID146383260
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(NC(O)c4ccc(N(C)C)cc4)n[nH]c3c2)c1Cl
InChIInChI=1S/C24H24Cl2N4O3/c1-30(2)15-8-5-13(6-9-15)24(31)27-23-16-10-7-14(11-17(16)28-29-23)20-21(25)18(32-3)12-19(33-4)22(20)26/h5-12,24,31H,1-4H3,(H2,27,28,29)
InChIKeyHYXHTMWBVWBMPE-UHFFFAOYSA-N
XLogP5.72
TPSA82.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol (CID 146383260) is [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol is COc1cc(OC)c(Cl)c(-c2ccc3c(NC(O)c4ccc(N(C)C)cc4)n[nH]c3c2)c1Cl.
What is the InChIKey of [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol?
The InChIKey is HYXHTMWBVWBMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-30(2)15-8-5-13(6-9-15)24(31)27-23-16-10-7-14(11-17(16)28-29-23)20-21(25)18(32-3)12-19(33-4)22(20)26/h5-12,24,31H,1-4H3,(H2,27,28,29).
What are the key properties of [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol?
[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol has a molecular weight of 487.39 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]amino]-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 146383260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).