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N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide

C34H43FN6O5 — CID 155024825

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide
SMILESCCC(=O)NC(C(=O)N1CCN(C)CC1)C(C)c1ccc(NC(=O)C(NC(=O)c2coc3ccncc23)C2CCCCC2)c(F)c1
InChIInChI=1S/C34H43FN6O5/c1-4-29(42)38-30(34(45)41-16-14-40(3)15-17-41)21(2)23-10-11-27(26(35)18-23)37-33(44)31(22-8-6-5-7-9-22)39-32(43)25-20-46-28-12-13-36-19-24(25)28/h10-13,18-22,30-31H,4-9,14-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)
InChIKeyYDQDGPGQANPWAT-UHFFFAOYSA-N
MW634.75 g/mol
LogP4.06
Rot. Bonds10

About N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide

N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide (PubChem CID 155024825) has the molecular formula C34H43FN6O5 and a molecular weight of 634.75 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide
PubChem CID155024825
Molecular FormulaC34H43FN6O5
Molecular Weight634.75 g/mol
Exact Mass634.33
IUPAC NameN-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide
SMILESCCC(=O)NC(C(=O)N1CCN(C)CC1)C(C)c1ccc(NC(=O)C(NC(=O)c2coc3ccncc23)C2CCCCC2)c(F)c1
InChIInChI=1S/C34H43FN6O5/c1-4-29(42)38-30(34(45)41-16-14-40(3)15-17-41)21(2)23-10-11-27(26(35)18-23)37-33(44)31(22-8-6-5-7-9-22)39-32(43)25-20-46-28-12-13-36-19-24(25)28/h10-13,18-22,30-31H,4-9,14-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)
InChIKeyYDQDGPGQANPWAT-UHFFFAOYSA-N
XLogP4.06
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.75
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide (CID 155024825) is N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide is CCC(=O)NC(C(=O)N1CCN(C)CC1)C(C)c1ccc(NC(=O)C(NC(=O)c2coc3ccncc23)C2CCCCC2)c(F)c1.
What is the InChIKey of N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is YDQDGPGQANPWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43FN6O5/c1-4-29(42)38-30(34(45)41-16-14-40(3)15-17-41)21(2)23-10-11-27(26(35)18-23)37-33(44)31(22-8-6-5-7-9-22)39-32(43)25-20-46-28-12-13-36-19-24(25)28/h10-13,18-22,30-31H,4-9,14-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43).
What are the key properties of N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide?
N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 634.75 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155024825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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