3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

C22H25F2N9O — CID 174036569

About 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 174036569) has the molecular formula C22H25F2N9O and a molecular weight of 469.50 g/mol. Its IUPAC name is 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
• PubChem CID: 174036569
• Molecular Formula: C22H25F2N9O
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.22
• IUPAC Name: 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
• SMILES: CC(N)=C(/C=N/CCC(F)F)Nc1nc(C2CC2)c(-c2cncc3c2ncn3C)nc1C(N)=O
• InChI: InChI=1S/C22H25F2N9O/c1-11(25)14(8-27-6-5-16(23)24)30-22-20(21(26)34)31-19(17(32-22)12-3-4-12)13-7-28-9-15-18(13)29-10-33(15)2/h7-10,12,16H,3-6,25H2,1-2H3,(H2,26,34)(H,30,32)/b14-11?,27-8+
• InChIKey: YCGFUIICVUVCBZ-BWPQZRCLSA-N
• XLogP: 2.73
• TPSA: 149.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 174036569) is 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is CC(N)=C(/C=N/CCC(F)F)Nc1nc(C2CC2)c(-c2cncc3c2ncn3C)nc1C(N)=O.

What is the InChIKey of 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?

The InChIKey is YCGFUIICVUVCBZ-BWPQZRCLSA-N. The full InChI is InChI=1S/C22H25F2N9O/c1-11(25)14(8-27-6-5-16(23)24)30-22-20(21(26)34)31-19(17(32-22)12-3-4-12)13-7-28-9-15-18(13)29-10-33(15)2/h7-10,12,16H,3-6,25H2,1-2H3,(H2,26,34)(H,30,32)/b14-11?,27-8+.

What are the key properties of 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?

3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-amino-1-(3,3-difluoropropylimino)but-2-en-2-yl]amino]-5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 174036569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).