1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide

C127H142FN19O14 — CID 157237101

IUPAC1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)CN3CC(c4ccccc4)CC3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3noc4ccccc34)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccc(F)cc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C46H48FN7O4.C42H50N6O5.C39H44N6O5/c1-4-6-23-51(24-7-5-2)46(58)41-25-31(3)53(50-41)42-22-19-36(27-39(42)45(57)52-29-34-16-12-11-15-33(34)26-38(52)30-55)48-44(56)43-28-40(32-13-9-8-10-14-32)49-54(43)37-20-17-35(47)18-21-37;1-4-6-19-45(20-7-5-2)42(53)37-21-29(3)48(44-37)38-18-17-34(43-39(50)27-46-25-33(23-40(46)51)30-13-9-8-10-14-30)24-36(38)41(52)47-26-32-16-12-11-15-31(32)22-35(47)28-49;1-4-6-18-43(19-7-5-2)39(49)34-20-26(3)45(41-34)35-17-16-29(40-37(47)23-33-31-14-10-11-15-36(31)50-42-33)22-32(35)38(48)44-24-28-13-9-8-12-27(28)21-30(44)25-46/h8-22,25,27-28,38,55H,4-7,23-24,26,29-30H2,1-3H3,(H,48,56);8-18,21,24,33,35,49H,4-7,19-20,22-23,25-28H2,1-3H3,(H,43,50);8-17,20,22,30,46H,4-7,18-19,21,23-25H2,1-3H3,(H,40,47)/t38-;33?,35-;30-/m000/s1
InChIKeyAUTMGCZJASRKLL-NVMBHTHESA-N
MW2177.65 g/mol
LogP19.87
Rot. Bonds41

About 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide

1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 157237101) has the molecular formula C127H142FN19O14 and a molecular weight of 2177.65 g/mol. Its IUPAC name is 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID157237101
Molecular FormulaC127H142FN19O14
Molecular Weight2177.65 g/mol
Exact Mass2176.10
IUPAC Name1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)CN3CC(c4ccccc4)CC3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3noc4ccccc34)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccc(F)cc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C46H48FN7O4.C42H50N6O5.C39H44N6O5/c1-4-6-23-51(24-7-5-2)46(58)41-25-31(3)53(50-41)42-22-19-36(27-39(42)45(57)52-29-34-16-12-11-15-33(34)26-38(52)30-55)48-44(56)43-28-40(32-13-9-8-10-14-32)49-54(43)37-20-17-35(47)18-21-37;1-4-6-19-45(20-7-5-2)42(53)37-21-29(3)48(44-37)38-18-17-34(43-39(50)27-46-25-33(23-40(46)51)30-13-9-8-10-14-30)24-36(38)41(52)47-26-32-16-12-11-15-31(32)22-35(47)28-49;1-4-6-18-43(19-7-5-2)39(49)34-20-26(3)45(41-34)35-17-16-29(40-37(47)23-33-31-14-10-11-15-36(31)50-42-33)22-32(35)38(48)44-24-28-13-9-8-12-27(28)21-30(44)25-46/h8-22,25,27-28,38,55H,4-7,23-24,26,29-30H2,1-3H3,(H,48,56);8-18,21,24,33,35,49H,4-7,19-20,22-23,25-28H2,1-3H3,(H,43,50);8-17,20,22,30,46H,4-7,18-19,21,23-25H2,1-3H3,(H,40,47)/t38-;33?,35-;30-/m000/s1
InChIKeyAUTMGCZJASRKLL-NVMBHTHESA-N
XLogP19.87
TPSA387.47 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.65
LogP ≤ 519.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2-[4-[1-(3-amino-1,2-benzoxazol-5-yl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]benzaldehyde;(3R)-pyrrolidin-3-ol
CID 157366477
1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2-[4-[1-(3-amino-1,2-benzoxazol-5-yl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]benzaldehyde;(3R)-1-chloropyrrolidin-3-ol;methane
CID 158319283
1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;2-[4-[1-(3-amino-1,2-benzoxazol-5-yl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]benzaldehyde;(3S)-1-chloropyrrolidin-3-ol;methane
CID 158319284
1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 71611117
1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 78132657
1-[4-[2-(1,2-benzoxazol-3-yl)propanoylamino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 89660089
1-[4-[2-(1,2-benzoxazol-3-yl)propanoylamino]-2-(3-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 123188803
1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[hydroxy-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 123426008
1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 131976573
1-(1,2-benzoxazol-3-yl)ethanol;[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]azanide;vanadium
CID 145599882
1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[hydroxy-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 145599917
1-[4-[2-(1,2-benzoxazol-3-yl)propanoylamino]-2-[(3R)-3-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 147738928

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide (CID 157237101) is 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide is CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)CN3CC(c4ccccc4)CC3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3noc4ccccc34)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccc(F)cc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.
What is the InChIKey of 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is AUTMGCZJASRKLL-NVMBHTHESA-N. The full InChI is InChI=1S/C46H48FN7O4.C42H50N6O5.C39H44N6O5/c1-4-6-23-51(24-7-5-2)46(58)41-25-31(3)53(50-41)42-22-19-36(27-39(42)45(57)52-29-34-16-12-11-15-33(34)26-38(52)30-55)48-44(56)43-28-40(32-13-9-8-10-14-32)49-54(43)37-20-17-35(47)18-21-37;1-4-6-19-45(20-7-5-2)42(53)37-21-29(3)48(44-37)38-18-17-34(43-39(50)27-46-25-33(23-40(46)51)30-13-9-8-10-14-30)24-36(38)41(52)47-26-32-16-12-11-15-31(32)22-35(47)28-49;1-4-6-18-43(19-7-5-2)39(49)34-20-26(3)45(41-34)35-17-16-29(40-37(47)23-33-31-14-10-11-15-36(31)50-42-33)22-32(35)38(48)44-24-28-13-9-8-12-27(28)21-30(44)25-46/h8-22,25,27-28,38,55H,4-7,23-24,26,29-30H2,1-3H3,(H,48,56);8-18,21,24,33,35,49H,4-7,19-20,22-23,25-28H2,1-3H3,(H,43,50);8-17,20,22,30,46H,4-7,18-19,21,23-25H2,1-3H3,(H,40,47)/t38-;33?,35-;30-/m000/s1.
What are the key properties of 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2177.65 g/mol, XLogP of 19.87, 41 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 157237101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).