1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide

C30H39N7O2 — CID 90467195

IUPAC1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide
SMILESCCC(C)n1cc(C)c2c(C(=O)NCc3c(OC)nn(C)c3C)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChIInChI=1S/C30H39N7O2/c1-7-20(3)37-18-19(2)28-24(29(38)33-17-25-21(4)35(5)34-30(25)39-6)14-23(15-26(28)37)22-8-9-27(32-16-22)36-12-10-31-11-13-36/h8-9,14-16,18,20,31H,7,10-13,17H2,1-6H3,(H,33,38)
InChIKeyRBRSCFOTNWAFGZ-UHFFFAOYSA-N
MW529.69 g/mol
LogP4.37
Rot. Bonds8

About 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide

1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide (PubChem CID 90467195) has the molecular formula C30H39N7O2 and a molecular weight of 529.69 g/mol. Its IUPAC name is 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide
PubChem CID90467195
Molecular FormulaC30H39N7O2
Molecular Weight529.69 g/mol
Exact Mass529.32
IUPAC Name1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide
SMILESCCC(C)n1cc(C)c2c(C(=O)NCc3c(OC)nn(C)c3C)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChIInChI=1S/C30H39N7O2/c1-7-20(3)37-18-19(2)28-24(29(38)33-17-25-21(4)35(5)34-30(25)39-6)14-23(15-26(28)37)22-8-9-27(32-16-22)36-12-10-31-11-13-36/h8-9,14-16,18,20,31H,7,10-13,17H2,1-6H3,(H,33,38)
InChIKeyRBRSCFOTNWAFGZ-UHFFFAOYSA-N
XLogP4.37
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.69
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide?
The IUPAC name of 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide (CID 90467195) is 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide is CCC(C)n1cc(C)c2c(C(=O)NCc3c(OC)nn(C)c3C)cc(-c3ccc(N4CCNCC4)nc3)cc21.
What is the InChIKey of 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide?
The InChIKey is RBRSCFOTNWAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O2/c1-7-20(3)37-18-19(2)28-24(29(38)33-17-25-21(4)35(5)34-30(25)39-6)14-23(15-26(28)37)22-8-9-27(32-16-22)36-12-10-31-11-13-36/h8-9,14-16,18,20,31H,7,10-13,17H2,1-6H3,(H,33,38).
What are the key properties of 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide?
1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide has a molecular weight of 529.69 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[(3-methoxy-1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide is sourced from PubChem (CID 90467195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).