5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C25H22F3N7O2 — CID 174040239

IUPAC5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)c1nn(CC(F)(F)F)c2cc([C@H]3CC3c3cc(-c4c[nH]c(=O)[nH]c4=O)nn4ccnc34)ccc12
InChIInChI=1S/C25H22F3N7O2/c1-12(2)21-14-4-3-13(7-20(14)35(33-21)11-25(26,27)28)15-8-16(15)17-9-19(32-34-6-5-29-22(17)34)18-10-30-24(37)31-23(18)36/h3-7,9-10,12,15-16H,8,11H2,1-2H3,(H2,30,31,36,37)/t15-,16?/m1/s1
InChIKeyXPTHFTFNKYDCJM-AAFJCEBUSA-N
MW509.49 g/mol
LogP4.08
Rot. Bonds5

About 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 174040239) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID174040239
Molecular FormulaC25H22F3N7O2
Molecular Weight509.49 g/mol
Exact Mass509.18
IUPAC Name5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)c1nn(CC(F)(F)F)c2cc([C@H]3CC3c3cc(-c4c[nH]c(=O)[nH]c4=O)nn4ccnc34)ccc12
InChIInChI=1S/C25H22F3N7O2/c1-12(2)21-14-4-3-13(7-20(14)35(33-21)11-25(26,27)28)15-8-16(15)17-9-19(32-34-6-5-29-22(17)34)18-10-30-24(37)31-23(18)36/h3-7,9-10,12,15-16H,8,11H2,1-2H3,(H2,30,31,36,37)/t15-,16?/m1/s1
InChIKeyXPTHFTFNKYDCJM-AAFJCEBUSA-N
XLogP4.08
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 174040239) is 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is CC(C)c1nn(CC(F)(F)F)c2cc([C@H]3CC3c3cc(-c4c[nH]c(=O)[nH]c4=O)nn4ccnc34)ccc12.
What is the InChIKey of 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XPTHFTFNKYDCJM-AAFJCEBUSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-12(2)21-14-4-3-13(7-20(14)35(33-21)11-25(26,27)28)15-8-16(15)17-9-19(32-34-6-5-29-22(17)34)18-10-30-24(37)31-23(18)36/h3-7,9-10,12,15-16H,8,11H2,1-2H3,(H2,30,31,36,37)/t15-,16?/m1/s1.
What are the key properties of 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 509.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(2S)-2-[3-propan-2-yl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174040239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).