N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide

C27H23N3O3 — CID 58582221

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C27H23N3O3/c1-33-25-15-23-21(14-22(25)27(32)28-24(16-31)18-8-3-2-4-9-18)26(30-29-23)20-12-11-17-7-5-6-10-19(17)13-20/h2-15,24,31H,16H2,1H3,(H,28,32)(H,29,30)/t24-/m1/s1
InChIKeyGEZSSIXQBHJKNB-XMMPIXPASA-N
MW437.50 g/mol
LogP4.86
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide (PubChem CID 58582221) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
PubChem CID58582221
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C27H23N3O3/c1-33-25-15-23-21(14-22(25)27(32)28-24(16-31)18-8-3-2-4-9-18)26(30-29-23)20-12-11-17-7-5-6-10-19(17)13-20/h2-15,24,31H,16H2,1H3,(H,28,32)(H,29,30)/t24-/m1/s1
InChIKeyGEZSSIXQBHJKNB-XMMPIXPASA-N
XLogP4.86
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide (CID 58582221) is N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The InChIKey is GEZSSIXQBHJKNB-XMMPIXPASA-N. The full InChI is InChI=1S/C27H23N3O3/c1-33-25-15-23-21(14-22(25)27(32)28-24(16-31)18-8-3-2-4-9-18)26(30-29-23)20-12-11-17-7-5-6-10-19(17)13-20/h2-15,24,31H,16H2,1H3,(H,28,32)(H,29,30)/t24-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 58582221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).