N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide

C30H34N4O3 — CID 86711054

IUPACN-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1cccc(OC)c1
InChIInChI=1S/C30H34N4O3/c1-4-27(21-6-5-7-25(18-21)36-3)31-30(35)22-10-13-28-26(19-22)29(33-32-28)20-8-11-23(12-9-20)37-24-14-16-34(2)17-15-24/h5-13,18-19,24,27H,4,14-17H2,1-3H3,(H,31,35)(H,32,33)/t27-/m1/s1
InChIKeyDTBCXPQPSNJDFQ-HHHXNRCGSA-N
MW498.63 g/mol
LogP5.59
Rot. Bonds8

About N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide

N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (PubChem CID 86711054) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
PubChem CID86711054
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1cccc(OC)c1
InChIInChI=1S/C30H34N4O3/c1-4-27(21-6-5-7-25(18-21)36-3)31-30(35)22-10-13-28-26(19-22)29(33-32-28)20-8-11-23(12-9-20)37-24-14-16-34(2)17-15-24/h5-13,18-19,24,27H,4,14-17H2,1-3H3,(H,31,35)(H,32,33)/t27-/m1/s1
InChIKeyDTBCXPQPSNJDFQ-HHHXNRCGSA-N
XLogP5.59
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 126626401
3-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]-N-[(1R)-3-hydroxy-1-phenylpropyl]-1H-indazole-5-carboxamide
CID 86711077
3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazole-5-carboxamide
CID 86711000
1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
CID 147125187
3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide
CID 123846554
N-[(S)-hydroxy(thiophen-3-yl)methyl]-3-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]oxyphenyl]-1H-indazole-5-carboxamide
CID 134567072
1-(2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
CID 147537837
2-methoxy-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 86710947
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-[4-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 134562113
N-[cyclopropyl(phenyl)methyl]-3-[4-[(5-methyl-5-azatricyclo[4.2.0.01,4]octan-2-yl)oxy]phenyl]-1H-indazole-5-carboxamide
CID 123786779
1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea
CID 86710953
N-[cyclopropyl(phenyl)methyl]-3-(4-methylphenyl)-1H-indazole-5-carboxamide
CID 134567374

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide (CID 86711054) is N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is CC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1cccc(OC)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
The InChIKey is DTBCXPQPSNJDFQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-4-27(21-6-5-7-25(18-21)36-3)31-30(35)22-10-13-28-26(19-22)29(33-32-28)20-8-11-23(12-9-20)37-24-14-16-34(2)17-15-24/h5-13,18-19,24,27H,4,14-17H2,1-3H3,(H,31,35)(H,32,33)/t27-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide?
N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 86711054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).