3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide

C21H24N4O3 — CID 91629778

IUPAC3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NC(c3cccnc3)C3CCOCC3)cc2nn1C
InChIInChI=1S/C21H24N4O3/c1-25-21(27-2)17-6-5-15(12-18(17)24-25)20(26)23-19(14-7-10-28-11-8-14)16-4-3-9-22-13-16/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H,23,26)
InChIKeyHPXWIJFDSDRPPV-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.87
Rot. Bonds5

About 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide

3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide (PubChem CID 91629778) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide
PubChem CID91629778
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide
SMILESCOc1c2ccc(C(=O)NC(c3cccnc3)C3CCOCC3)cc2nn1C
InChIInChI=1S/C21H24N4O3/c1-25-21(27-2)17-6-5-15(12-18(17)24-25)20(26)23-19(14-7-10-28-11-8-14)16-4-3-9-22-13-16/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H,23,26)
InChIKeyHPXWIJFDSDRPPV-UHFFFAOYSA-N
XLogP2.87
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide?
The IUPAC name of 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide (CID 91629778) is 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide is COc1c2ccc(C(=O)NC(c3cccnc3)C3CCOCC3)cc2nn1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide?
The InChIKey is HPXWIJFDSDRPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-25-21(27-2)17-6-5-15(12-18(17)24-25)20(26)23-19(14-7-10-28-11-8-14)16-4-3-9-22-13-16/h3-6,9,12-14,19H,7-8,10-11H2,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide?
3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 91629778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).