7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine

C27H24F2N10 — CID 145035141

About 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine

7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine (PubChem CID 145035141) has the molecular formula C27H24F2N10 and a molecular weight of 526.56 g/mol. Its IUPAC name is 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine.

Molecular Properties

• Compound Name: 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine
• PubChem CID: 145035141
• Molecular Formula: C27H24F2N10
• Molecular Weight: 526.56 g/mol
• Exact Mass: 526.22
• IUPAC Name: 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine
• SMILES: Cc1cn(-c2ccnc3nc(C4=NNCc5cnc(-c6cncc(CN7CCC(F)(F)C7)c6)cc54)[nH]c23)cn1
• InChI: InChI=1S/C27H24F2N10/c1-16-12-39(15-33-16)22-2-4-31-25-24(22)35-26(36-25)23-20-7-21(32-10-19(20)11-34-37-23)18-6-17(8-30-9-18)13-38-5-3-27(28,29)14-38/h2,4,6-10,12,15,34H,3,5,11,13-14H2,1H3,(H,31,35,36)
• InChIKey: HOYKRVBBWXVXOC-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 112.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.56
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine?

The IUPAC name of 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine (CID 145035141) is 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine.

What is the SMILES notation for 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine?

The canonical SMILES for 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine is Cc1cn(-c2ccnc3nc(C4=NNCc5cnc(-c6cncc(CN7CCC(F)(F)C7)c6)cc54)[nH]c23)cn1.

What is the InChIKey of 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine?

The InChIKey is HOYKRVBBWXVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N10/c1-16-12-39(15-33-16)22-2-4-31-25-24(22)35-26(36-25)23-20-7-21(32-10-19(20)11-34-37-23)18-6-17(8-30-9-18)13-38-5-3-27(28,29)14-38/h2,4,6-10,12,15,34H,3,5,11,13-14H2,1H3,(H,31,35,36).

What are the key properties of 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine?

7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine has a molecular weight of 526.56 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3,4-dihydropyrido[3,4-d]pyridazine is sourced from PubChem (CID 145035141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).