5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide

C62H47F3N8O5 — CID 123294700

IUPAC5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cnc(-c3cccc(C(=O)NC4(c5cc(Cc6ccc(C(=O)NC7(c8ccccc8)CC7)cc6-c6ccn7nc(-c8ccc(F)cc8)c(C(=O)NC)c7c6F)ccn5)CC4)c3)cc12
InChIInChI=1S/C62H47F3N8O5/c1-66-59(76)51-47-33-48(69-34-49(47)78-56(51)37-15-19-44(64)20-16-37)39-7-6-8-40(31-39)57(74)71-62(25-26-62)50-30-35(21-27-68-50)29-38-11-12-41(58(75)70-61(23-24-61)42-9-4-3-5-10-42)32-46(38)45-22-28-73-55(53(45)65)52(60(77)67-2)54(72-73)36-13-17-43(63)18-14-36/h3-22,27-28,30-34H,23-26,29H2,1-2H3,(H,66,76)(H,67,77)(H,70,75)(H,71,74)
InChIKeyGNLWFGRGBLSANW-UHFFFAOYSA-N
MW1041.10 g/mol
LogP11.10
Rot. Bonds14

About 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide

5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide (PubChem CID 123294700) has the molecular formula C62H47F3N8O5 and a molecular weight of 1041.10 g/mol. Its IUPAC name is 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide
PubChem CID123294700
Molecular FormulaC62H47F3N8O5
Molecular Weight1041.10 g/mol
Exact Mass1040.36
IUPAC Name5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cnc(-c3cccc(C(=O)NC4(c5cc(Cc6ccc(C(=O)NC7(c8ccccc8)CC7)cc6-c6ccn7nc(-c8ccc(F)cc8)c(C(=O)NC)c7c6F)ccn5)CC4)c3)cc12
InChIInChI=1S/C62H47F3N8O5/c1-66-59(76)51-47-33-48(69-34-49(47)78-56(51)37-15-19-44(64)20-16-37)39-7-6-8-40(31-39)57(74)71-62(25-26-62)50-30-35(21-27-68-50)29-38-11-12-41(58(75)70-61(23-24-61)42-9-4-3-5-10-42)32-46(38)45-22-28-73-55(53(45)65)52(60(77)67-2)54(72-73)36-13-17-43(63)18-14-36/h3-22,27-28,30-34H,23-26,29H2,1-2H3,(H,66,76)(H,67,77)(H,70,75)(H,71,74)
InChIKeyGNLWFGRGBLSANW-UHFFFAOYSA-N
XLogP11.10
TPSA172.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.10
LogP ≤ 511.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 59190547
5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(1-methyl-1H-pyrazol-5-yl)benzofuran-3-carboxamide
CID 86728292
2-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)furo[3,2-b]pyridine-3-carboxamide
CID 117901268
2-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)furo[3,2-b]pyridine-3-carboxamide
CID 117902136
US12473304, Example 30
CID 156829254
US12473304, Example 225
CID 156829514
US12473304, Example 239
CID 156829532
US12473304, Example 482
CID 156829778
US12473304, Example 29
CID 178185586
4-fluoro-2-(4-fluorophenyl)-5-[4-methoxy-2-methyl-5-[[1-([1,3]oxazolo[5,4-c]pyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 53379355
4-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-([1,3]oxazolo[4,5-c]pyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 53380769
4-fluoro-5-[3-fluoro-2-methyl-5-[[1-([1,3]oxazolo[4,5-c]pyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 53380770

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide (CID 123294700) is 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cnc(-c3cccc(C(=O)NC4(c5cc(Cc6ccc(C(=O)NC7(c8ccccc8)CC7)cc6-c6ccn7nc(-c8ccc(F)cc8)c(C(=O)NC)c7c6F)ccn5)CC4)c3)cc12.
What is the InChIKey of 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide?
The InChIKey is GNLWFGRGBLSANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47F3N8O5/c1-66-59(76)51-47-33-48(69-34-49(47)78-56(51)37-15-19-44(64)20-16-37)39-7-6-8-40(31-39)57(74)71-62(25-26-62)50-30-35(21-27-68-50)29-38-11-12-41(58(75)70-61(23-24-61)42-9-4-3-5-10-42)32-46(38)45-22-28-73-55(53(45)65)52(60(77)67-2)54(72-73)36-13-17-43(63)18-14-36/h3-22,27-28,30-34H,23-26,29H2,1-2H3,(H,66,76)(H,67,77)(H,70,75)(H,71,74).
What are the key properties of 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide?
5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide has a molecular weight of 1041.10 g/mol, XLogP of 11.10, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[1-[4-[[2-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl]-2-pyridinyl]cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 123294700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).