5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C20H17N5O3 — CID 154655045

IUPAC5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CO)c4)cc23)cn1
InChIInChI=1S/C20H17N5O3/c1-28-18-5-3-15(10-22-18)23-20(27)19-16-7-13(2-4-17(16)24-25-19)14-6-12(11-26)8-21-9-14/h2-10,26H,11H2,1H3,(H,23,27)(H,24,25)
InChIKeyJXTWACOOHZYGQU-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.77
Rot. Bonds5

About 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 154655045) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID154655045
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CO)c4)cc23)cn1
InChIInChI=1S/C20H17N5O3/c1-28-18-5-3-15(10-22-18)23-20(27)19-16-7-13(2-4-17(16)24-25-19)14-6-12(11-26)8-21-9-14/h2-10,26H,11H2,1H3,(H,23,27)(H,24,25)
InChIKeyJXTWACOOHZYGQU-UHFFFAOYSA-N
XLogP2.77
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 154655045) is 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CO)c4)cc23)cn1.
What is the InChIKey of 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is JXTWACOOHZYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-18-5-3-15(10-22-18)23-20(27)19-16-7-13(2-4-17(16)24-25-19)14-6-12(11-26)8-21-9-14/h2-10,26H,11H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(hydroxymethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 154655045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).