6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide

C28H36N6O4 — CID 134422827

IUPAC6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide
SMILESCCC(C)C(=O)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C)n4)c(OC(C)C)cc3n2)CC1
InChIInChI=1S/C28H36N6O4/c1-6-19(4)28(37)33-12-10-32(11-13-33)26(35)17-34-16-21-14-24(25(38-18(2)3)15-23(21)31-34)30-27(36)22-9-7-8-20(5)29-22/h7-9,14-16,18-19H,6,10-13,17H2,1-5H3,(H,30,36)
InChIKeyQIRWRMURSYGZRT-UHFFFAOYSA-N
MW520.63 g/mol
LogP3.50
Rot. Bonds8

About 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide

6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide (PubChem CID 134422827) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide
PubChem CID134422827
Molecular FormulaC28H36N6O4
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC Name6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide
SMILESCCC(C)C(=O)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C)n4)c(OC(C)C)cc3n2)CC1
InChIInChI=1S/C28H36N6O4/c1-6-19(4)28(37)33-12-10-32(11-13-33)26(35)17-34-16-21-14-24(25(38-18(2)3)15-23(21)31-34)30-27(36)22-9-7-8-20(5)29-22/h7-9,14-16,18-19H,6,10-13,17H2,1-5H3,(H,30,36)
InChIKeyQIRWRMURSYGZRT-UHFFFAOYSA-N
XLogP3.50
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]acetic acid
CID 118172746
6-(cyclopropylamino)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
CID 122637013
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086
N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide
CID 144865168
N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
N-[2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 164969718
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745
N-[2-[2-[4-(2-hydroxy-1,1,1-triiodopropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide
CID 118182636
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate
CID 118182503
N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118182655
6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109096862
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide (CID 134422827) is 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide is CCC(C)C(=O)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C)n4)c(OC(C)C)cc3n2)CC1.
What is the InChIKey of 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide?
The InChIKey is QIRWRMURSYGZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4/c1-6-19(4)28(37)33-12-10-32(11-13-33)26(35)17-34-16-21-14-24(25(38-18(2)3)15-23(21)31-34)30-27(36)22-9-7-8-20(5)29-22/h7-9,14-16,18-19H,6,10-13,17H2,1-5H3,(H,30,36).
What are the key properties of 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide?
6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[2-[4-(2-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]-6-propan-2-yloxyindazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134422827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).