N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C21H16Cl2N4O2 — CID 127046871

IUPACN-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H16Cl2N4O2/c22-15-7-14(8-16(23)10-15)19(11-28)25-21(29)13-1-2-18-17(9-13)20(27-26-18)12-3-5-24-6-4-12/h1-10,19,28H,11H2,(H,25,29)(H,26,27)
InChIKeyILXBVBUJMGFVDC-UHFFFAOYSA-N
MW427.29 g/mol
LogP4.40
Rot. Bonds5

About N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127046871) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127046871
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC NameN-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H16Cl2N4O2/c22-15-7-14(8-16(23)10-15)19(11-28)25-21(29)13-1-2-18-17(9-13)20(27-26-18)12-3-5-24-6-4-12/h1-10,19,28H,11H2,(H,25,29)(H,26,27)
InChIKeyILXBVBUJMGFVDC-UHFFFAOYSA-N
XLogP4.40
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127046871) is N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is ILXBVBUJMGFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c22-15-7-14(8-16(23)10-15)19(11-28)25-21(29)13-1-2-18-17(9-13)20(27-26-18)12-3-5-24-6-4-12/h1-10,19,28H,11H2,(H,25,29)(H,26,27).
What are the key properties of N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 427.29 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127046871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).