N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide

C32H38F2N8O6 — CID 138487939

About N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide

N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide (PubChem CID 138487939) has the molecular formula C32H38F2N8O6 and a molecular weight of 668.70 g/mol. Its IUPAC name is N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide
• PubChem CID: 138487939
• Molecular Formula: C32H38F2N8O6
• Molecular Weight: 668.70 g/mol
• Exact Mass: 668.29
• IUPAC Name: N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide
• SMILES: COc1ccc(CN2C(=O)C(C)(C)c3c(N4CCC(c5nc(C(=O)NNC(=O)C(F)F)ccc5NCCO)CC4)ncnc32)c(OC)c1
• InChI: InChI=1S/C32H38F2N8O6/c1-32(2)24-27(36-17-37-28(24)42(31(32)46)16-19-5-6-20(47-3)15-23(19)48-4)41-12-9-18(10-13-41)25-21(35-11-14-43)7-8-22(38-25)29(44)39-40-30(45)26(33)34/h5-8,15,17-18,26,35,43H,9-14,16H2,1-4H3,(H,39,44)(H,40,45)
• InChIKey: FFOMHRYGTXVMPD-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 171.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.70
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide?

The IUPAC name of N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide (CID 138487939) is N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide.

What is the SMILES notation for N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide?

The canonical SMILES for N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide is COc1ccc(CN2C(=O)C(C)(C)c3c(N4CCC(c5nc(C(=O)NNC(=O)C(F)F)ccc5NCCO)CC4)ncnc32)c(OC)c1.

What is the InChIKey of N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide?

The InChIKey is FFOMHRYGTXVMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N8O6/c1-32(2)24-27(36-17-37-28(24)42(31(32)46)16-19-5-6-20(47-3)15-23(19)48-4)41-12-9-18(10-13-41)25-21(35-11-14-43)7-8-22(38-25)29(44)39-40-30(45)26(33)34/h5-8,15,17-18,26,35,43H,9-14,16H2,1-4H3,(H,39,44)(H,40,45).

What are the key properties of N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide?

N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide has a molecular weight of 668.70 g/mol, XLogP of 2.53, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2,2-difluoroacetyl)-6-[1-[7-[(2,4-dimethoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-5-(2-hydroxyethylamino)pyridine-2-carbohydrazide is sourced from PubChem (CID 138487939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).