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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Related Compounds

(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-[[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56959991
(1R,2S)-5'-methoxy-2-(3-(4-(4-methylpiperazin-1-yl)phenyl)-1H-indazol-6-yl)spiro [cyclopropane-1,3'-indolin]-2'-one
CID 58486186
(2'S,3R)-5-methoxy-2'-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 67448476
(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 11613526
(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 46968760
(2'S,3R)-2'-[3-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486208
US9907800, Example A98
CID 58486223
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 71680627
5-methoxy-N-{[1-(2-methoxyethyl)-piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714627

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).