6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide

C79H71F3N12O9 — CID 158530656

IUPAC6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide
SMILESCc1ccc(Cn2cc(C(=O)C[C@@H](C)NC=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.Cc1ccc(Cn2cc(NC=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.O=CNCC[C@H](CC(=O)c1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12)NC=O
InChIInChI=1S/C29H25F3N4O4.C27H26N4O3.C23H20N4O2/c30-29(31,32)20-7-4-18(5-8-20)12-28(40)26-3-1-2-24(36-26)19-6-9-25-22(13-19)23(15-34-25)27(39)14-21(35-17-38)10-11-33-16-37;1-17-6-8-19(9-7-17)14-31-15-22(26(33)12-18(2)29-16-32)21-13-20(10-11-25(21)31)23-4-3-5-24(30-23)27(28)34;1-15-5-7-16(8-6-15)12-27-13-21(25-14-28)18-11-17(9-10-22(18)27)19-3-2-4-20(26-19)23(24)29/h1-9,13,15-17,21,34H,10-12,14H2,(H,33,37)(H,35,38);3-11,13,15-16,18H,12,14H2,1-2H3,(H2,28,34)(H,29,32);2-11,13-14H,12H2,1H3,(H2,24,29)(H,25,28)/t21-;18-;/m11./s1
InChIKeyHNHZZTCWMSOBPB-WMYICTDKSA-N
MW1389.51 g/mol
LogP12.09
Rot. Bonds28

About 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide

6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide (PubChem CID 158530656) has the molecular formula C79H71F3N12O9 and a molecular weight of 1389.51 g/mol. Its IUPAC name is 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide.

Molecular Properties

Compound Name6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide
PubChem CID158530656
Molecular FormulaC79H71F3N12O9
Molecular Weight1389.51 g/mol
Exact Mass1388.54
IUPAC Name6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide
SMILESCc1ccc(Cn2cc(C(=O)C[C@@H](C)NC=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.Cc1ccc(Cn2cc(NC=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.O=CNCC[C@H](CC(=O)c1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12)NC=O
InChIInChI=1S/C29H25F3N4O4.C27H26N4O3.C23H20N4O2/c30-29(31,32)20-7-4-18(5-8-20)12-28(40)26-3-1-2-24(36-26)19-6-9-25-22(13-19)23(15-34-25)27(39)14-21(35-17-38)10-11-33-16-37;1-17-6-8-19(9-7-17)14-31-15-22(26(33)12-18(2)29-16-32)21-13-20(10-11-25(21)31)23-4-3-5-24(30-23)27(28)34;1-15-5-7-16(8-6-15)12-27-13-21(25-14-28)18-11-17(9-10-22(18)27)19-3-2-4-20(26-19)23(24)29/h1-9,13,15-17,21,34H,10-12,14H2,(H,33,37)(H,35,38);3-11,13,15-16,18H,12,14H2,1-2H3,(H2,28,34)(H,29,32);2-11,13-14H,12H2,1H3,(H2,24,29)(H,25,28)/t21-;18-;/m11./s1
InChIKeyHNHZZTCWMSOBPB-WMYICTDKSA-N
XLogP12.09
TPSA318.11 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.51
LogP ≤ 512.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide with MolForge

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Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(3-pyridyl)-1H-indole-7-carboxamide
CID 507856
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(4-pyridyl)-1H-indole-7-carboxamide
CID 507864
CID 49798378
CID 49798378
(2S)-1-(1H-indole-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-indole-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768790
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-[2-(1H-indol-2-yl)ethyl]-1H-indole-7-carboxamide
CID 71597100
US10822352, Comp No. 169
CID 139314115
Cyclo[(R)-2-(4-(2-imino-3-amino-3-oxopropyl)-1H-1,2,3-triazol-1-yl)acetyl-Val-Trp-Phe-Gly-homoVal-(m-CF3)Phe-(1-Bz-4-NH)Pro]
CID 171378349
US9796741, cmp No. 140
CID 118323600
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-7-carboxamide
CID 507849
1H-Pyrrolo[3,2-b]pyridine-7-carboxamide, 3-[2-[(2R)-4-benzoyl-2-methyl-1-piperazinyl]-1,2-dioxoethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-
CID 5280249
N-[2-[(2S,4S)-4-[[(2S,4S)-4-[[(2S,4S)-4-acetamido-1-[2-(10H-indolo[3,2-b]quinoline-11-carbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]-1-[2-(acridine-9-carbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide
CID 44452756
N-[2-[(2S,4S)-4-acetamido-2-[[(3S,5S)-1-[2-(acridine-9-carbonylamino)acetyl]-5-[[(3S,5S)-1-[2-(acridine-9-carbonylamino)acetyl]-5-carbamoylpyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-10H-indolo[3,2-b]quinoline-11-carboxamide
CID 44452788

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide?
The IUPAC name of 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide (CID 158530656) is 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide.
What is the SMILES notation for 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide?
The canonical SMILES for 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide is Cc1ccc(Cn2cc(C(=O)C[C@@H](C)NC=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.Cc1ccc(Cn2cc(NC=O)c3cc(-c4cccc(C(N)=O)n4)ccc32)cc1.O=CNCC[C@H](CC(=O)c1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12)NC=O.
What is the InChIKey of 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide?
The InChIKey is HNHZZTCWMSOBPB-WMYICTDKSA-N. The full InChI is InChI=1S/C29H25F3N4O4.C27H26N4O3.C23H20N4O2/c30-29(31,32)20-7-4-18(5-8-20)12-28(40)26-3-1-2-24(36-26)19-6-9-25-22(13-19)23(15-34-25)27(39)14-21(35-17-38)10-11-33-16-37;1-17-6-8-19(9-7-17)14-31-15-22(26(33)12-18(2)29-16-32)21-13-20(10-11-25(21)31)23-4-3-5-24(30-23)27(28)34;1-15-5-7-16(8-6-15)12-27-13-21(25-14-28)18-11-17(9-10-22(18)27)19-3-2-4-20(26-19)23(24)29/h1-9,13,15-17,21,34H,10-12,14H2,(H,33,37)(H,35,38);3-11,13,15-16,18H,12,14H2,1-2H3,(H2,28,34)(H,29,32);2-11,13-14H,12H2,1H3,(H2,24,29)(H,25,28)/t21-;18-;/m11./s1.
What are the key properties of 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide?
6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide has a molecular weight of 1389.51 g/mol, XLogP of 12.09, 28 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3R)-3-formamidobutanoyl]-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[3-formamido-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;N-[(3R)-3-formamido-5-oxo-5-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]pentyl]formamide is sourced from PubChem (CID 158530656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).