N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide

C22H20N4O3 — CID 47057863

IUPACN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3cn[nH]c23)ccc1OCc1ccncc1
InChIInChI=1S/C22H20N4O3/c1-28-20-11-16(5-6-19(20)29-14-15-7-9-23-10-8-15)12-24-22(27)18-4-2-3-17-13-25-26-21(17)18/h2-11,13H,12,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyYCKIDGZAOUCYAE-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.48
Rot. Bonds7

About N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide (PubChem CID 47057863) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
PubChem CID47057863
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3cn[nH]c23)ccc1OCc1ccncc1
InChIInChI=1S/C22H20N4O3/c1-28-20-11-16(5-6-19(20)29-14-15-7-9-23-10-8-15)12-24-22(27)18-4-2-3-17-13-25-26-21(17)18/h2-11,13H,12,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyYCKIDGZAOUCYAE-UHFFFAOYSA-N
XLogP3.48
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55844320
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide
CID 55964647
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057730
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-4-(methoxysulfamoyl)benzamide
CID 55843428
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-indazole-7-carboxamide
CID 46551555
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 46417867

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide (CID 47057863) is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide is COc1cc(CNC(=O)c2cccc3cn[nH]c23)ccc1OCc1ccncc1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
The InChIKey is YCKIDGZAOUCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-20-11-16(5-6-19(20)29-14-15-7-9-23-10-8-15)12-24-22(27)18-4-2-3-17-13-25-26-21(17)18/h2-11,13H,12,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide?
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 47057863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).