5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C23H20F3N7O2 — CID 171368828

IUPAC5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC(n1ncc2ccc([C@H]3C[C@@H]3c3cc(C4CNC(=O)NC4=O)nn4ccnc34)cc21)C(F)(F)F
InChIInChI=1S/C23H20F3N7O2/c1-11(23(24,25)26)33-19-6-12(2-3-13(19)9-29-33)14-7-15(14)16-8-18(31-32-5-4-27-20(16)32)17-10-28-22(35)30-21(17)34/h2-6,8-9,11,14-15,17H,7,10H2,1H3,(H2,28,30,34,35)/t11?,14-,15+,17?/m1/s1
InChIKeyIYCSZSQGZUXODX-CKEKPBRVSA-N
MW483.45 g/mol
LogP3.40
Rot. Bonds4

About 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368828) has the molecular formula C23H20F3N7O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368828
Molecular FormulaC23H20F3N7O2
Molecular Weight483.45 g/mol
Exact Mass483.16
IUPAC Name5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC(n1ncc2ccc([C@H]3C[C@@H]3c3cc(C4CNC(=O)NC4=O)nn4ccnc34)cc21)C(F)(F)F
InChIInChI=1S/C23H20F3N7O2/c1-11(23(24,25)26)33-19-6-12(2-3-13(19)9-29-33)14-7-15(14)16-8-18(31-32-5-4-27-20(16)32)17-10-28-22(35)30-21(17)34/h2-6,8-9,11,14-15,17H,7,10H2,1H3,(H2,28,30,34,35)/t11?,14-,15+,17?/m1/s1
InChIKeyIYCSZSQGZUXODX-CKEKPBRVSA-N
XLogP3.40
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368828) is 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is CC(n1ncc2ccc([C@H]3C[C@@H]3c3cc(C4CNC(=O)NC4=O)nn4ccnc34)cc21)C(F)(F)F.
What is the InChIKey of 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is IYCSZSQGZUXODX-CKEKPBRVSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c1-11(23(24,25)26)33-19-6-12(2-3-13(19)9-29-33)14-7-15(14)16-8-18(31-32-5-4-27-20(16)32)17-10-28-22(35)30-21(17)34/h2-6,8-9,11,14-15,17H,7,10H2,1H3,(H2,28,30,34,35)/t11?,14-,15+,17?/m1/s1.
What are the key properties of 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 483.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1S,2S)-2-[1-(1,1,1-trifluoropropan-2-yl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).