6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C51H37F3N20O3 — CID 91223644

About 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 91223644) has the molecular formula C51H37F3N20O3 and a molecular weight of 1034.99 g/mol. Its IUPAC name is 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 91223644
• Molecular Formula: C51H37F3N20O3
• Molecular Weight: 1034.99 g/mol
• Exact Mass: 1034.33
• IUPAC Name: 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cc1nc(NC(=O)c2cc(Nc3ccccc3Cc3nc(NC(=O)c4nc(Cc5nc(NC(=O)c6ccncc6C)nc(-c6ccccn6)n5)ccc4C(F)(F)F)nc(-c4ccccn4)n3)n[nH]2)nc(-c2ccccn2)n1
• InChI: InChI=1S/C51H37F3N20O3/c1-27-26-55-22-18-31(27)45(75)70-49-66-39(64-44(68-49)36-15-7-10-21-58-36)24-30-16-17-32(51(52,53)54)41(61-30)47(77)72-50-65-38(63-43(69-50)35-14-6-9-20-57-35)23-29-11-3-4-12-33(29)62-40-25-37(73-74-40)46(76)71-48-60-28(2)59-42(67-48)34-13-5-8-19-56-34/h3-22,25-26H,23-24H2,1-2H3,(H2,62,73,74)(H,59,60,67,71,76)(H,63,65,69,72,77)(H,64,66,68,70,75)
• InChIKey: PVNVQOSRTBYBKG-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 308.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1034.99
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 91223644) is 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is Cc1nc(NC(=O)c2cc(Nc3ccccc3Cc3nc(NC(=O)c4nc(Cc5nc(NC(=O)c6ccncc6C)nc(-c6ccccn6)n5)ccc4C(F)(F)F)nc(-c4ccccn4)n3)n[nH]2)nc(-c2ccccn2)n1.

What is the InChIKey of 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is PVNVQOSRTBYBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37F3N20O3/c1-27-26-55-22-18-31(27)45(75)70-49-66-39(64-44(68-49)36-15-7-10-21-58-36)24-30-16-17-32(51(52,53)54)41(61-30)47(77)72-50-65-38(63-43(69-50)35-14-6-9-20-57-35)23-29-11-3-4-12-33(29)62-40-25-37(73-74-40)46(76)71-48-60-28(2)59-42(67-48)34-13-5-8-19-56-34/h3-22,25-26H,23-24H2,1-2H3,(H2,62,73,74)(H,59,60,67,71,76)(H,63,65,69,72,77)(H,64,66,68,70,75).

What are the key properties of 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?

6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1034.99 g/mol, XLogP of 7.26, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(3-methylpyridine-4-carbonyl)amino]-6-pyridin-2-yl-1,3,5-triazin-2-yl]methyl]-N-[4-[[2-[[5-[(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbamoyl]-1H-pyrazol-3-yl]amino]phenyl]methyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 91223644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).