3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide

C26H24ClF2N7O4S — CID 175957720

About 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide

3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide (PubChem CID 175957720) has the molecular formula C26H24ClF2N7O4S and a molecular weight of 604.04 g/mol. Its IUPAC name is 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide
• PubChem CID: 175957720
• Molecular Formula: C26H24ClF2N7O4S
• Molecular Weight: 604.04 g/mol
• Exact Mass: 603.13
• IUPAC Name: 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide
• SMILES: CNC(=O)C1CCC(Nc2ncc3cc(-c4c(F)cnc(NS(=O)(=O)c5cc(Cl)cnc5OC)c4F)ccc3n2)C1
• InChI: InChI=1S/C26H24ClF2N7O4S/c1-30-24(37)14-3-5-17(8-14)34-26-33-10-15-7-13(4-6-19(15)35-26)21-18(28)12-31-23(22(21)29)36-41(38,39)20-9-16(27)11-32-25(20)40-2/h4,6-7,9-12,14,17H,3,5,8H2,1-2H3,(H,30,37)(H,31,36)(H,33,34,35)
• InChIKey: UTPGZSYMMGKIEM-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 148.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.04
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide?

The IUPAC name of 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide (CID 175957720) is 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide.

What is the SMILES notation for 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide?

The canonical SMILES for 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCC(Nc2ncc3cc(-c4c(F)cnc(NS(=O)(=O)c5cc(Cl)cnc5OC)c4F)ccc3n2)C1.

What is the InChIKey of 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide?

The InChIKey is UTPGZSYMMGKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N7O4S/c1-30-24(37)14-3-5-17(8-14)34-26-33-10-15-7-13(4-6-19(15)35-26)21-18(28)12-31-23(22(21)29)36-41(38,39)20-9-16(27)11-32-25(20)40-2/h4,6-7,9-12,14,17H,3,5,8H2,1-2H3,(H,30,37)(H,31,36)(H,33,34,35).

What are the key properties of 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide?

3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide has a molecular weight of 604.04 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 175957720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).