5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride

C24H22F2N6O3 — CID 157033699

IUPAC5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
SMILESF.O=C(c1ccc([C@H]2C[C@@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)cc1)N1CC[C@H](F)C1
InChIInChI=1S/C24H21FN6O3.FH/c25-15-5-7-30(12-15)23(33)14-3-1-13(2-4-14)16-9-17(16)18-10-20(29-31-8-6-26-21(18)31)19-11-27-24(34)28-22(19)32;/h1-4,6,8,10-11,15-17H,5,7,9,12H2,(H2,27,28,32,34);1H/t15-,16+,17-;/m0./s1
InChIKeyCLSIENSDCZRYJO-VNMUXGFYSA-N
MW480.48 g/mol
LogP2.38
Rot. Bonds4

About 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride

5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride (PubChem CID 157033699) has the molecular formula C24H22F2N6O3 and a molecular weight of 480.48 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
PubChem CID157033699
Molecular FormulaC24H22F2N6O3
Molecular Weight480.48 g/mol
Exact Mass480.17
IUPAC Name5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
SMILESF.O=C(c1ccc([C@H]2C[C@@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)cc1)N1CC[C@H](F)C1
InChIInChI=1S/C24H21FN6O3.FH/c25-15-5-7-30(12-15)23(33)14-3-1-13(2-4-14)16-9-17(16)18-10-20(29-31-8-6-26-21(18)31)19-11-27-24(34)28-22(19)32;/h1-4,6,8,10-11,15-17H,5,7,9,12H2,(H2,27,28,32,34);1H/t15-,16+,17-;/m0./s1
InChIKeyCLSIENSDCZRYJO-VNMUXGFYSA-N
XLogP2.38
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
The IUPAC name of 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride (CID 157033699) is 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride.
What is the SMILES notation for 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
The canonical SMILES for 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride is F.O=C(c1ccc([C@H]2C[C@@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)cc1)N1CC[C@H](F)C1.
What is the InChIKey of 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
The InChIKey is CLSIENSDCZRYJO-VNMUXGFYSA-N. The full InChI is InChI=1S/C24H21FN6O3.FH/c25-15-5-7-30(12-15)23(33)14-3-1-13(2-4-14)16-9-17(16)18-10-20(29-31-8-6-26-21(18)31)19-11-27-24(34)28-22(19)32;/h1-4,6,8,10-11,15-17H,5,7,9,12H2,(H2,27,28,32,34);1H/t15-,16+,17-;/m0./s1.
What are the key properties of 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride?
5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride has a molecular weight of 480.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1S,2S)-2-[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride is sourced from PubChem (CID 157033699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).