N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C22H19ClN4O2 — CID 127047027

IUPACN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1
InChIInChI=1S/C22H19ClN4O2/c1-13-9-15(7-8-24-13)21-18-11-16(5-6-19(18)26-27-21)22(29)25-20(12-28)14-3-2-4-17(23)10-14/h2-11,20,28H,12H2,1H3,(H,25,29)(H,26,27)
InChIKeyOMKSHRGIEVKCAP-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.05
Rot. Bonds5

About N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 127047027) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID127047027
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1
InChIInChI=1S/C22H19ClN4O2/c1-13-9-15(7-8-24-13)21-18-11-16(5-6-19(18)26-27-21)22(29)25-20(12-28)14-3-2-4-17(23)10-14/h2-11,20,28H,12H2,1H3,(H,25,29)(H,26,27)
InChIKeyOMKSHRGIEVKCAP-UHFFFAOYSA-N
XLogP4.05
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 127047027) is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC(CO)c4cccc(Cl)c4)cc23)ccn1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is OMKSHRGIEVKCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-13-9-15(7-8-24-13)21-18-11-16(5-6-19(18)26-27-21)22(29)25-20(12-28)14-3-2-4-17(23)10-14/h2-11,20,28H,12H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).