N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide

C24H28FN7O3 — CID 118182655

IUPACN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(N5CCOCC5)n4)c(F)cc3n2)CC1
InChIInChI=1S/C24H28FN7O3/c1-29-5-7-31(8-6-29)23(33)16-32-15-17-13-21(18(25)14-20(17)28-32)27-24(34)19-3-2-4-22(26-19)30-9-11-35-12-10-30/h2-4,13-15H,5-12,16H2,1H3,(H,27,34)
InChIKeyHQJUGIOOCHGXSC-UHFFFAOYSA-N
MW481.53 g/mol
LogP1.43
Rot. Bonds5

About N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide

N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 118182655) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID118182655
Molecular FormulaC24H28FN7O3
Molecular Weight481.53 g/mol
Exact Mass481.22
IUPAC NameN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(N5CCOCC5)n4)c(F)cc3n2)CC1
InChIInChI=1S/C24H28FN7O3/c1-29-5-7-31(8-6-29)23(33)16-32-15-17-13-21(18(25)14-20(17)28-32)27-24(34)19-3-2-4-22(26-19)30-9-11-35-12-10-30/h2-4,13-15H,5-12,16H2,1H3,(H,27,34)
InChIKeyHQJUGIOOCHGXSC-UHFFFAOYSA-N
XLogP1.43
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118173008
6-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086
N-[6-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910
6-(cyclopropylamino)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
CID 122637013
N-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
N-(2-fluorophenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573960
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-fluoroindazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 118172979
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
CID 144865206
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
6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
CID 123354518
6-morpholin-4-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 84574004

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (CID 118182655) is N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(N5CCOCC5)n4)c(F)cc3n2)CC1.
What is the InChIKey of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is HQJUGIOOCHGXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-29-5-7-31(8-6-29)23(33)16-32-15-17-13-21(18(25)14-20(17)28-32)27-24(34)19-3-2-4-22(26-19)30-9-11-35-12-10-30/h2-4,13-15H,5-12,16H2,1H3,(H,27,34).
What are the key properties of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 118182655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).