5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide

C19H28N4O2 — CID 70742876

IUPAC5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)N(C)CC3CCCN(C(C)C)C3)c2c1
InChIInChI=1S/C19H28N4O2/c1-13(2)23-9-5-6-14(12-23)11-22(3)19(24)18-16-10-15(25-4)7-8-17(16)20-21-18/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,20,21)
InChIKeyUBDBSAFTUJCCDM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.76
Rot. Bonds5

About 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide

5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide (PubChem CID 70742876) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide
PubChem CID70742876
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)N(C)CC3CCCN(C(C)C)C3)c2c1
InChIInChI=1S/C19H28N4O2/c1-13(2)23-9-5-6-14(12-23)11-22(3)19(24)18-16-10-15(25-4)7-8-17(16)20-21-18/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,20,21)
InChIKeyUBDBSAFTUJCCDM-UHFFFAOYSA-N
XLogP2.76
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide (CID 70742876) is 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)N(C)CC3CCCN(C(C)C)C3)c2c1.
What is the InChIKey of 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is UBDBSAFTUJCCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)23-9-5-6-14(12-23)11-22(3)19(24)18-16-10-15(25-4)7-8-17(16)20-21-18/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,20,21).
What are the key properties of 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide?
5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 70742876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).