1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide

C24H34F2N8O2 — CID 170577471

About 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide

1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide (PubChem CID 170577471) has the molecular formula C24H34F2N8O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide.

Molecular Properties

• Compound Name: 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide
• PubChem CID: 170577471
• Molecular Formula: C24H34F2N8O2
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.28
• IUPAC Name: 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide
• SMILES: CCc1cc(-n2nc(N3CCC(COC)(N(C)C)C3)c3cnc(C)cc32)nc(C(C)(F)F)n1.NC=O
• InChI: InChI=1S/C23H31F2N7O.CH3NO/c1-7-16-11-19(28-21(27-16)22(3,24)25)32-18-10-15(2)26-12-17(18)20(29-32)31-9-8-23(13-31,14-33-6)30(4)5;2-1-3/h10-12H,7-9,13-14H2,1-6H3;1H,(H2,2,3)
• InChIKey: YSBKYJIXWVMGIZ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 115.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide?

The IUPAC name of 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide (CID 170577471) is 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide.

What is the SMILES notation for 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide?

The canonical SMILES for 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide is CCc1cc(-n2nc(N3CCC(COC)(N(C)C)C3)c3cnc(C)cc32)nc(C(C)(F)F)n1.NC=O.

What is the InChIKey of 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide?

The InChIKey is YSBKYJIXWVMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N7O.CH3NO/c1-7-16-11-19(28-21(27-16)22(3,24)25)32-18-10-15(2)26-12-17(18)20(29-32)31-9-8-23(13-31,14-33-6)30(4)5;2-1-3/h10-12H,7-9,13-14H2,1-6H3;1H,(H2,2,3).

What are the key properties of 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide?

1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide has a molecular weight of 504.59 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide is sourced from PubChem (CID 170577471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).