2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol

C19H18F6N6O2 — CID 170631006

IUPAC2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)n2nc1C(C)(O)C(F)(F)F
InChIInChI=1S/C19H18F6N6O2/c1-18(32,19(23,24)25)16-13(33-2)4-14-27-7-12(31(14)30-16)15-8(20)3-9(21)17(29-15)28-11-6-26-5-10(11)22/h3-4,7,10-11,26,32H,5-6H2,1-2H3,(H,28,29)
InChIKeyUFTXSYXOBMKLAQ-UHFFFAOYSA-N
MW476.38 g/mol
LogP2.57
Rot. Bonds5

About 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol

2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 170631006) has the molecular formula C19H18F6N6O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID170631006
Molecular FormulaC19H18F6N6O2
Molecular Weight476.38 g/mol
Exact Mass476.14
IUPAC Name2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)n2nc1C(C)(O)C(F)(F)F
InChIInChI=1S/C19H18F6N6O2/c1-18(32,19(23,24)25)16-13(33-2)4-14-27-7-12(31(14)30-16)15-8(20)3-9(21)17(29-15)28-11-6-26-5-10(11)22/h3-4,7,10-11,26,32H,5-6H2,1-2H3,(H,28,29)
InChIKeyUFTXSYXOBMKLAQ-UHFFFAOYSA-N
XLogP2.57
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol (CID 170631006) is 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol is COc1cc2ncc(-c3nc(NC4CNCC4F)c(F)cc3F)n2nc1C(C)(O)C(F)(F)F.
What is the InChIKey of 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UFTXSYXOBMKLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N6O2/c1-18(32,19(23,24)25)16-13(33-2)4-14-27-7-12(31(14)30-16)15-8(20)3-9(21)17(29-15)28-11-6-26-5-10(11)22/h3-4,7,10-11,26,32H,5-6H2,1-2H3,(H,28,29).
What are the key properties of 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol?
2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 476.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 170631006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).