6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide

C30H36FN7O3 — CID 178151009

About 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide

6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide (PubChem CID 178151009) has the molecular formula C30H36FN7O3 and a molecular weight of 561.66 g/mol. Its IUPAC name is 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide
• PubChem CID: 178151009
• Molecular Formula: C30H36FN7O3
• Molecular Weight: 561.66 g/mol
• Exact Mass: 561.29
• IUPAC Name: 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide
• SMILES: Cc1cc(C(=O)N(C)C)cnc1NC(=O)c1ncc(O[C@H](CN2CCN[C@H](C)C2)c2ccc(C3CC3)cn2)cc1F
• InChI: InChI=1S/C30H36FN7O3/c1-18-11-22(30(40)37(3)4)14-35-28(18)36-29(39)27-24(31)12-23(15-34-27)41-26(17-38-10-9-32-19(2)16-38)25-8-7-21(13-33-25)20-5-6-20/h7-8,11-15,19-20,26,32H,5-6,9-10,16-17H2,1-4H3,(H,35,36,39)/t19-,26-/m1/s1
• InChIKey: BMGCMYSSZYJSEZ-NIYFSFCBSA-N
• XLogP: 3.56
• TPSA: 112.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.66
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide?

The IUPAC name of 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide (CID 178151009) is 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide.

What is the SMILES notation for 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide?

The canonical SMILES for 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide is Cc1cc(C(=O)N(C)C)cnc1NC(=O)c1ncc(O[C@H](CN2CCN[C@H](C)C2)c2ccc(C3CC3)cn2)cc1F.

What is the InChIKey of 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide?

The InChIKey is BMGCMYSSZYJSEZ-NIYFSFCBSA-N. The full InChI is InChI=1S/C30H36FN7O3/c1-18-11-22(30(40)37(3)4)14-35-28(18)36-29(39)27-24(31)12-23(15-34-27)41-26(17-38-10-9-32-19(2)16-38)25-8-7-21(13-33-25)20-5-6-20/h7-8,11-15,19-20,26,32H,5-6,9-10,16-17H2,1-4H3,(H,35,36,39)/t19-,26-/m1/s1.

What are the key properties of 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide?

6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide has a molecular weight of 561.66 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-[(1R)-1-(5-cyclopropyl-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]ethoxy]-3-fluoropyridine-2-carbonyl]amino]-N,N,5-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 178151009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).