5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

C26H22ClFN6O — CID 59737824

About 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 59737824) has the molecular formula C26H22ClFN6O and a molecular weight of 488.95 g/mol. Its IUPAC name is 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 59737824
• Molecular Formula: C26H22ClFN6O
• Molecular Weight: 488.95 g/mol
• Exact Mass: 488.15
• IUPAC Name: 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
• SMILES: C[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cc(-c2ccc(-c3ncc(C(N)=O)cc3Cl)nc2)n1
• InChI: InChI=1S/C26H22ClFN6O/c1-15-3-2-10-34(15)26-32-22(16-4-7-19(28)8-5-16)12-23(33-26)17-6-9-21(30-13-17)24-20(27)11-18(14-31-24)25(29)35/h4-9,11-15H,2-3,10H2,1H3,(H2,29,35)/t15-/m0/s1
• InChIKey: IFZRAMGSIIRAIF-HNNXBMFYSA-N
• XLogP: 5.15
• TPSA: 97.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.95
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 59737824) is 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cc(-c2ccc(-c3ncc(C(N)=O)cc3Cl)nc2)n1.

What is the InChIKey of 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The InChIKey is IFZRAMGSIIRAIF-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H22ClFN6O/c1-15-3-2-10-34(15)26-32-22(16-4-7-19(28)8-5-16)12-23(33-26)17-6-9-21(30-13-17)24-20(27)11-18(14-31-24)25(29)35/h4-9,11-15H,2-3,10H2,1H3,(H2,29,35)/t15-/m0/s1.

What are the key properties of 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 488.95 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[5-[6-(4-fluorophenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 59737824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).