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NFBPYNYPYRTHSU-UHFFFAOYSA-N

C18H13F3N6O — CID 122510927

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28)
InChIKeyNFBPYNYPYRTHSU-UHFFFAOYSA-N
MW386.34 g/mol
LogP2.76
Rot. Bonds5

About NFBPYNYPYRTHSU-UHFFFAOYSA-N

NFBPYNYPYRTHSU-UHFFFAOYSA-N (PubChem CID 122510927) has the molecular formula C18H13F3N6O and a molecular weight of 386.34 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameNFBPYNYPYRTHSU-UHFFFAOYSA-N
PubChem CID122510927
Molecular FormulaC18H13F3N6O
Molecular Weight386.34 g/mol
Exact Mass386.11
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28)
InChIKeyNFBPYNYPYRTHSU-UHFFFAOYSA-N
XLogP2.76
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of NFBPYNYPYRTHSU-UHFFFAOYSA-N?
The IUPAC name of NFBPYNYPYRTHSU-UHFFFAOYSA-N (CID 122510927) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for NFBPYNYPYRTHSU-UHFFFAOYSA-N?
The canonical SMILES for NFBPYNYPYRTHSU-UHFFFAOYSA-N is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12.
What is the InChIKey of NFBPYNYPYRTHSU-UHFFFAOYSA-N?
The InChIKey is NFBPYNYPYRTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O/c19-11-3-1-10(2-4-11)16-17(26(9-24-16)8-14(20)21)12-5-6-15-23-7-13(18(22)28)27(15)25-12/h1-7,9,14H,8H2,(H2,22,28).
What are the key properties of NFBPYNYPYRTHSU-UHFFFAOYSA-N?
NFBPYNYPYRTHSU-UHFFFAOYSA-N has a molecular weight of 386.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for NFBPYNYPYRTHSU-UHFFFAOYSA-N is sourced from PubChem (CID 122510927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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