5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide

C21H24N4O3 — CID 146254731

IUPAC5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESCOCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
InChIInChI=1S/C21H24N4O3/c1-27-13-16-4-7-22-12-18(16)15-2-3-19-17(10-15)20(25-24-19)21(26)23-11-14-5-8-28-9-6-14/h2-4,7,10,12,14H,5-6,8-9,11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyGTBVWLAMASZLOC-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.93
Rot. Bonds6

About 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide

5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 146254731) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID146254731
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESCOCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
InChIInChI=1S/C21H24N4O3/c1-27-13-16-4-7-22-12-18(16)15-2-3-19-17(10-15)20(25-24-19)21(26)23-11-14-5-8-28-9-6-14/h2-4,7,10,12,14H,5-6,8-9,11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyGTBVWLAMASZLOC-UHFFFAOYSA-N
XLogP2.93
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide (CID 146254731) is 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide is COCc1ccncc1-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1.
What is the InChIKey of 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is GTBVWLAMASZLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-13-16-4-7-22-12-18(16)15-2-3-19-17(10-15)20(25-24-19)21(26)23-11-14-5-8-28-9-6-14/h2-4,7,10,12,14H,5-6,8-9,11,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide?
5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 146254731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).