1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide

C33H38F3N5O5 — CID 176972413

About 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide

1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 176972413) has the molecular formula C33H38F3N5O5 and a molecular weight of 641.69 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 176972413
• Molecular Formula: C33H38F3N5O5
• Molecular Weight: 641.69 g/mol
• Exact Mass: 641.28
• IUPAC Name: 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• SMILES: CC(C)CNCc1cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3C(=O)N3CC(F)C3)cc(OC(C)C)n2)c(=O)n(C2CC2)c1
• InChI: InChI=1S/C33H38F3N5O5/c1-18(2)13-37-14-20-9-27(32(44)41(15-20)23-5-6-23)30(42)39-28-10-21(11-29(38-28)45-19(3)4)25-8-7-24(46-33(35)36)12-26(25)31(43)40-16-22(34)17-40/h7-12,15,18-19,22-23,33,37H,5-6,13-14,16-17H2,1-4H3,(H,38,39,42)
• InChIKey: SRWBRABPPAIWHR-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.69
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (CID 176972413) is 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is CC(C)CNCc1cc(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3C(=O)N3CC(F)C3)cc(OC(C)C)n2)c(=O)n(C2CC2)c1.

What is the InChIKey of 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is SRWBRABPPAIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F3N5O5/c1-18(2)13-37-14-20-9-27(32(44)41(15-20)23-5-6-23)30(42)39-28-10-21(11-29(38-28)45-19(3)4)25-8-7-24(46-33(35)36)12-26(25)31(43)40-16-22(34)17-40/h7-12,15,18-19,22-23,33,37H,5-6,13-14,16-17H2,1-4H3,(H,38,39,42).

What are the key properties of 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 641.69 g/mol, XLogP of 5.43, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[4-[4-(difluoromethoxy)-2-(3-fluoroazetidine-1-carbonyl)phenyl]-6-propan-2-yloxy-2-pyridinyl]-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 176972413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).