2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C66H57F4N9O6S — CID 90795652

IUPAC2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NCc3cc(F)ccc3-c3nn4ccc(-c5cc(C(=O)NC6(c7ccccc7)CC6)cc(F)c5C)c(F)c4c3C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)c2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C66H57F4N9O6S/c1-7-79(86(6,84)85)54-37-78-53(35-51(54)40-15-14-16-41(31-40)61(80)73-65(3,4)44-17-10-8-11-18-44)55(58(75-78)39-21-23-46(67)24-22-39)64(83)72-36-43-32-47(68)25-26-48(43)59-56(63(82)71-5)60-57(70)49(27-30-77(60)76-59)50-33-42(34-52(69)38(50)2)62(81)74-66(28-29-66)45-19-12-9-13-20-45/h8-27,30-35,37H,7,28-29,36H2,1-6H3,(H,71,82)(H,72,83)(H,73,80)(H,74,81)
InChIKeyZESBYYWDLRQINS-UHFFFAOYSA-N
MW1180.30 g/mol
LogP11.67
Rot. Bonds17

About 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90795652) has the molecular formula C66H57F4N9O6S and a molecular weight of 1180.30 g/mol. Its IUPAC name is 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90795652
Molecular FormulaC66H57F4N9O6S
Molecular Weight1180.30 g/mol
Exact Mass1179.41
IUPAC Name2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NCc3cc(F)ccc3-c3nn4ccc(-c5cc(C(=O)NC6(c7ccccc7)CC6)cc(F)c5C)c(F)c4c3C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)c2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C66H57F4N9O6S/c1-7-79(86(6,84)85)54-37-78-53(35-51(54)40-15-14-16-41(31-40)61(80)73-65(3,4)44-17-10-8-11-18-44)55(58(75-78)39-21-23-46(67)24-22-39)64(83)72-36-43-32-47(68)25-26-48(43)59-56(63(82)71-5)60-57(70)49(27-30-77(60)76-59)50-33-42(34-52(69)38(50)2)62(81)74-66(28-29-66)45-19-12-9-13-20-45/h8-27,30-35,37H,7,28-29,36H2,1-6H3,(H,71,82)(H,72,83)(H,73,80)(H,74,81)
InChIKeyZESBYYWDLRQINS-UHFFFAOYSA-N
XLogP11.67
TPSA188.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001180.30
LogP ≤ 511.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 90795652) is 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NCc3cc(F)ccc3-c3nn4ccc(-c5cc(C(=O)NC6(c7ccccc7)CC6)cc(F)c5C)c(F)c4c3C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)c2ccccc2)c1)S(C)(=O)=O.
What is the InChIKey of 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZESBYYWDLRQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57F4N9O6S/c1-7-79(86(6,84)85)54-37-78-53(35-51(54)40-15-14-16-41(31-40)61(80)73-65(3,4)44-17-10-8-11-18-44)55(58(75-78)39-21-23-46(67)24-22-39)64(83)72-36-43-32-47(68)25-26-48(43)59-56(63(82)71-5)60-57(70)49(27-30-77(60)76-59)50-33-42(34-52(69)38(50)2)62(81)74-66(28-29-66)45-19-12-9-13-20-45/h8-27,30-35,37H,7,28-29,36H2,1-6H3,(H,71,82)(H,72,83)(H,73,80)(H,74,81).
What are the key properties of 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1180.30 g/mol, XLogP of 11.67, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]-4-fluorophenyl]-4-fluoro-5-[3-fluoro-2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90795652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).