1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide

C123H148N18O15 — CID 159266235

IUPAC1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C(CCNC(C)=O)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C(OC)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3c(C)n(C)n(-c4ccccc4)c3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C42H49N7O5.C42H52N6O5.C39H47N5O5/c1-6-8-21-46(22-9-7-2)41(53)36-23-28(3)48(44-36)37-20-19-32(25-35(37)40(52)47-26-31-16-14-13-15-30(31)24-34(47)27-50)43-39(51)38-29(4)45(5)49(42(38)54)33-17-11-10-12-18-33;1-5-7-22-46(23-8-6-2)42(53)38-24-29(3)48(45-38)39-19-18-34(44-40(51)36(20-21-43-30(4)50)31-14-10-9-11-15-31)26-37(39)41(52)47-27-33-17-13-12-16-32(33)25-35(47)28-49;1-5-7-20-42(21-8-6-2)39(48)34-22-27(3)44(41-34)35-19-18-31(40-37(46)36(49-4)28-14-10-9-11-15-28)24-33(35)38(47)43-25-30-17-13-12-16-29(30)23-32(43)26-45/h10-20,23,25,34,50H,6-9,21-22,24,26-27H2,1-5H3,(H,43,51);9-19,24,26,35-36,49H,5-8,20-23,25,27-28H2,1-4H3,(H,43,50)(H,44,51);9-19,22,24,32,36,45H,5-8,20-21,23,25-26H2,1-4H3,(H,40,46)/t34-;35-,36?;32-,36?/m000/s1
InChIKeyKXDDEQSOECONHP-CDWOIOTDSA-N
MW2118.65 g/mol
LogP17.97
Rot. Bonds43

About 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide

1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 159266235) has the molecular formula C123H148N18O15 and a molecular weight of 2118.65 g/mol. Its IUPAC name is 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID159266235
Molecular FormulaC123H148N18O15
Molecular Weight2118.65 g/mol
Exact Mass2117.14
IUPAC Name1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C(CCNC(C)=O)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C(OC)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3c(C)n(C)n(-c4ccccc4)c3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C42H49N7O5.C42H52N6O5.C39H47N5O5/c1-6-8-21-46(22-9-7-2)41(53)36-23-28(3)48(44-36)37-20-19-32(25-35(37)40(52)47-26-31-16-14-13-15-30(31)24-34(47)27-50)43-39(51)38-29(4)45(5)49(42(38)54)33-17-11-10-12-18-33;1-5-7-22-46(23-8-6-2)42(53)38-24-29(3)48(45-38)39-19-18-34(44-40(51)36(20-21-43-30(4)50)31-14-10-9-11-15-31)26-37(39)41(52)47-27-33-17-13-12-16-32(33)25-35(47)28-49;1-5-7-20-42(21-8-6-2)39(48)34-22-27(3)44(41-34)35-19-18-31(40-37(46)36(49-4)28-14-10-9-11-15-28)24-33(35)38(47)43-25-30-17-13-12-16-29(30)23-32(43)26-45/h10-20,23,25,34,50H,6-9,21-22,24,26-27H2,1-5H3,(H,43,51);9-19,24,26,35-36,49H,5-8,20-23,25,27-28H2,1-4H3,(H,43,50)(H,44,51);9-19,22,24,32,36,45H,5-8,20-21,23,25-26H2,1-4H3,(H,40,46)/t34-;35-,36?;32-,36?/m000/s1
InChIKeyKXDDEQSOECONHP-CDWOIOTDSA-N
XLogP17.97
TPSA388.57 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds43
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002118.65
LogP ≤ 517.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N,N-dibutyl-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]-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-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(propan-2-ylcarbamoylamino)phenyl]-5-methylpyrazole-3-carboxamide
CID 158098535
N,N-dibutyl-1-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylcarbamoylamino]-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-[[(1R,2S)-2-phenylcyclopropyl]carbamoylamino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(propan-2-ylcarbamoylamino)phenyl]-5-methylpyrazole-3-carboxamide
CID 161777875
N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 71611535
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 71611821
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[(2R)-2-methoxy-2-naphthalen-2-ylacetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 71612344
benzyl N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]carbamate
CID 78132790
N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 78132793
N,N-dibutyl-1-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 78132869
(S)-benzyl (4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)-3-(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)carbamate
CID 89660119
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(4-phenylmethoxybutanoylamino)phenyl]-5-methylpyrazole-3-carboxamide
CID 89660297
1-[4-[[2-(1-adamantyloxy)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 89660308
N,N-dibutyl-1-[2-[hydroxy-(3-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 123351225

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide (CID 159266235) is 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide is CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C(CCNC(C)=O)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C(OC)c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3c(C)n(C)n(-c4ccccc4)c3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.
What is the InChIKey of 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is KXDDEQSOECONHP-CDWOIOTDSA-N. The full InChI is InChI=1S/C42H49N7O5.C42H52N6O5.C39H47N5O5/c1-6-8-21-46(22-9-7-2)41(53)36-23-28(3)48(44-36)37-20-19-32(25-35(37)40(52)47-26-31-16-14-13-15-30(31)24-34(47)27-50)43-39(51)38-29(4)45(5)49(42(38)54)33-17-11-10-12-18-33;1-5-7-22-46(23-8-6-2)42(53)38-24-29(3)48(45-38)39-19-18-34(44-40(51)36(20-21-43-30(4)50)31-14-10-9-11-15-31)26-37(39)41(52)47-27-33-17-13-12-16-32(33)25-35(47)28-49;1-5-7-20-42(21-8-6-2)39(48)34-22-27(3)44(41-34)35-19-18-31(40-37(46)36(49-4)28-14-10-9-11-15-28)24-33(35)38(47)43-25-30-17-13-12-16-29(30)23-32(43)26-45/h10-20,23,25,34,50H,6-9,21-22,24,26-27H2,1-5H3,(H,43,51);9-19,24,26,35-36,49H,5-8,20-23,25,27-28H2,1-4H3,(H,43,50)(H,44,51);9-19,22,24,32,36,45H,5-8,20-21,23,25-26H2,1-4H3,(H,40,46)/t34-;35-,36?;32-,36?/m000/s1.
What are the key properties of 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide?
1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2118.65 g/mol, XLogP of 17.97, 43 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetamido-2-phenylbutanoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-2-phenylacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 159266235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).