N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide

C25H23N5O2 — CID 159978643

IUPACN-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide
SMILESCOc1ccc(-c2cnn(C)c2)c2c1CC(NC(=O)c1ccc(Cn3cccc3)cc1)=N2
InChIInChI=1S/C25H23N5O2/c1-29-16-19(14-26-29)20-9-10-22(32-2)21-13-23(27-24(20)21)28-25(31)18-7-5-17(6-8-18)15-30-11-3-4-12-30/h3-12,14,16H,13,15H2,1-2H3,(H,27,28,31)
InChIKeyOFMCUYLAPOIKAP-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.96
Rot. Bonds5

About N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide

N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide (PubChem CID 159978643) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide
PubChem CID159978643
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide
SMILESCOc1ccc(-c2cnn(C)c2)c2c1CC(NC(=O)c1ccc(Cn3cccc3)cc1)=N2
InChIInChI=1S/C25H23N5O2/c1-29-16-19(14-26-29)20-9-10-22(32-2)21-13-23(27-24(20)21)28-25(31)18-7-5-17(6-8-18)15-30-11-3-4-12-30/h3-12,14,16H,13,15H2,1-2H3,(H,27,28,31)
InChIKeyOFMCUYLAPOIKAP-UHFFFAOYSA-N
XLogP3.96
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide
CID 147914533
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CID 158058342
N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 147014443
1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 149019221
1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide
CID 158013193
N-(4-methoxy-7-pyridin-3-yl-3H-indol-2-yl)cyclopropanecarboxamide
CID 158644717
N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]pyridine-4-carboxamide
CID 175795176
methyl (E)-3-[4-methoxy-3-(1-methylpyrazol-4-yl)phenyl]but-2-enoate
CID 82543689
2-methoxy-6-(1-methylpyrazol-4-yl)phenol
CID 83130518
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
2-[4-[[[4-(2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)phenyl]carbamoylamino]methyl]phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide?
The IUPAC name of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide (CID 159978643) is N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide is COc1ccc(-c2cnn(C)c2)c2c1CC(NC(=O)c1ccc(Cn3cccc3)cc1)=N2.
What is the InChIKey of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide?
The InChIKey is OFMCUYLAPOIKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-29-16-19(14-26-29)20-9-10-22(32-2)21-13-23(27-24(20)21)28-25(31)18-7-5-17(6-8-18)15-30-11-3-4-12-30/h3-12,14,16H,13,15H2,1-2H3,(H,27,28,31).
What are the key properties of N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide?
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide has a molecular weight of 425.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide is sourced from PubChem (CID 159978643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).