N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide

C27H30FN7O4 — CID 118173008

IUPACN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCN(C(=O)C4CC4)CC3)nc2cc1F)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C27H30FN7O4/c28-20-15-22-19(14-23(20)30-26(37)21-2-1-3-24(29-21)32-10-12-39-13-11-32)16-35(31-22)17-25(36)33-6-8-34(9-7-33)27(38)18-4-5-18/h1-3,14-16,18H,4-13,17H2,(H,30,37)
InChIKeyXPBIQYCYROOTRF-UHFFFAOYSA-N
MW535.58 g/mol
LogP1.74
Rot. Bonds6

About N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide

N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 118173008) has the molecular formula C27H30FN7O4 and a molecular weight of 535.58 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID118173008
Molecular FormulaC27H30FN7O4
Molecular Weight535.58 g/mol
Exact Mass535.23
IUPAC NameN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCN(C(=O)C4CC4)CC3)nc2cc1F)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C27H30FN7O4/c28-20-15-22-19(14-23(20)30-26(37)21-2-1-3-24(29-21)32-10-12-39-13-11-32)16-35(31-22)17-25(36)33-6-8-34(9-7-33)27(38)18-4-5-18/h1-3,14-16,18H,4-13,17H2,(H,30,37)
InChIKeyXPBIQYCYROOTRF-UHFFFAOYSA-N
XLogP1.74
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.58
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118182655
6-(cyclopropylamino)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
CID 122637013
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
N-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
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-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910
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
6-morpholin-4-yl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 84574004
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-bromo-N-[6-bromo-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 118173086
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (CID 118173008) is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CCN(C(=O)C4CC4)CC3)nc2cc1F)c1cccc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is XPBIQYCYROOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O4/c28-20-15-22-19(14-23(20)30-26(37)21-2-1-3-24(29-21)32-10-12-39-13-11-32)16-35(31-22)17-25(36)33-6-8-34(9-7-33)27(38)18-4-5-18/h1-3,14-16,18H,4-13,17H2,(H,30,37).
What are the key properties of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 535.58 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 118173008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).