6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C65H52F2N10O4S2 — CID 130248681

IUPAC6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3cn[nH]c3C3CC3c3cc(C)c(NC(=O)c4cc5c(s4)-c4ccccc4N(C(=O)c4cccc(-c6cnc(C)n6C6CC6)n4)CC5)c(F)c3)n1)CC2
InChIInChI=1S/C65H52F2N10O4S2/c1-34-11-8-14-46(66)57(34)72-62(78)55-29-37-23-25-75(52-19-6-4-12-41(52)60(37)82-55)64(80)50-17-9-15-48(70-50)45-32-69-74-59(45)44-31-43(44)39-27-35(2)58(47(67)28-39)73-63(79)56-30-38-24-26-76(53-20-7-5-13-42(53)61(38)83-56)65(81)51-18-10-16-49(71-51)54-33-68-36(3)77(54)40-21-22-40/h4-20,27-30,32-33,40,43-44H,21-26,31H2,1-3H3,(H,69,74)(H,72,78)(H,73,79)
InChIKeyCHONGWCBIWYOJD-UHFFFAOYSA-N
MW1139.33 g/mol
LogP13.91
Rot. Bonds11

About 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130248681) has the molecular formula C65H52F2N10O4S2 and a molecular weight of 1139.33 g/mol. Its IUPAC name is 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

Compound Name6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
PubChem CID130248681
Molecular FormulaC65H52F2N10O4S2
Molecular Weight1139.33 g/mol
Exact Mass1138.36
IUPAC Name6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3cn[nH]c3C3CC3c3cc(C)c(NC(=O)c4cc5c(s4)-c4ccccc4N(C(=O)c4cccc(-c6cnc(C)n6C6CC6)n4)CC5)c(F)c3)n1)CC2
InChIInChI=1S/C65H52F2N10O4S2/c1-34-11-8-14-46(66)57(34)72-62(78)55-29-37-23-25-75(52-19-6-4-12-41(52)60(37)82-55)64(80)50-17-9-15-48(70-50)45-32-69-74-59(45)44-31-43(44)39-27-35(2)58(47(67)28-39)73-63(79)56-30-38-24-26-76(53-20-7-5-13-42(53)61(38)83-56)65(81)51-18-10-16-49(71-51)54-33-68-36(3)77(54)40-21-22-40/h4-20,27-30,32-33,40,43-44H,21-26,31H2,1-3H3,(H,69,74)(H,72,78)(H,73,79)
InChIKeyCHONGWCBIWYOJD-UHFFFAOYSA-N
XLogP13.91
TPSA171.10 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001139.33
LogP ≤ 513.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The IUPAC name of 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130248681) is 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.
What is the SMILES notation for 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The canonical SMILES for 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3cn[nH]c3C3CC3c3cc(C)c(NC(=O)c4cc5c(s4)-c4ccccc4N(C(=O)c4cccc(-c6cnc(C)n6C6CC6)n4)CC5)c(F)c3)n1)CC2.
What is the InChIKey of 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The InChIKey is CHONGWCBIWYOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52F2N10O4S2/c1-34-11-8-14-46(66)57(34)72-62(78)55-29-37-23-25-75(52-19-6-4-12-41(52)60(37)82-55)64(80)50-17-9-15-48(70-50)45-32-69-74-59(45)44-31-43(44)39-27-35(2)58(47(67)28-39)73-63(79)56-30-38-24-26-76(53-20-7-5-13-42(53)61(38)83-56)65(81)51-18-10-16-49(71-51)54-33-68-36(3)77(54)40-21-22-40/h4-20,27-30,32-33,40,43-44H,21-26,31H2,1-3H3,(H,69,74)(H,72,78)(H,73,79).
What are the key properties of 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 1139.33 g/mol, XLogP of 13.91, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3-cyclopropyl-2-methylimidazol-4-yl)pyridine-2-carbonyl]-N-[2-fluoro-4-[2-[4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]-1H-pyrazol-5-yl]cyclopropyl]-6-methylphenyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130248681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).