5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C29H32N4O3 — CID 71715678

IUPAC5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C29H32N4O3/c1-35-25-11-12-27-26(17-25)28(32-31-27)29(34)30-18-21-13-15-33(16-14-21)19-22-7-9-24(10-8-22)36-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3,(H,30,34)(H,31,32)
InChIKeyHEJUNQANWHZANT-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.79
Rot. Bonds9

About 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 71715678) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID71715678
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C29H32N4O3/c1-35-25-11-12-27-26(17-25)28(32-31-27)29(34)30-18-21-13-15-33(16-14-21)19-22-7-9-24(10-8-22)36-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3,(H,30,34)(H,31,32)
InChIKeyHEJUNQANWHZANT-UHFFFAOYSA-N
XLogP4.79
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
(2'S,3R)-5-methoxy-2'-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56962121
(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-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486224
(1R,2S)-5'-methoxy-1'-methyl-2-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58486278
(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
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
(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
4-[4-({[(5-methoxy-1H-indazol-3-yl)carbonyl]amino}methyl)piperidin-1-yl]butanoic acid
CID 71714654

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 71715678) is 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c2c1.
What is the InChIKey of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is HEJUNQANWHZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-35-25-11-12-27-26(17-25)28(32-31-27)29(34)30-18-21-13-15-33(16-14-21)19-22-7-9-24(10-8-22)36-20-23-5-3-2-4-6-23/h2-12,17,21H,13-16,18-20H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71715678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).