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VWIVRNWTLKBLTF-UHFFFAOYSA-N

C18H19F3N6O3 — CID 142483378

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

IUPACN-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C18H19F3N6O3/c1-17(7-18(19,20)21)26-15(29)11-5-4-10(16(30)27(11)17)24-12-6-13(23-8-22-12)25-14(28)9-2-3-9/h4-6,8-9,15,26,29H,2-3,7H2,1H3,(H2,22,23,24,25,28)
InChIKeyVWIVRNWTLKBLTF-UHFFFAOYSA-N
MW424.38 g/mol
LogP1.95
Rot. Bonds5

About VWIVRNWTLKBLTF-UHFFFAOYSA-N

VWIVRNWTLKBLTF-UHFFFAOYSA-N (PubChem CID 142483378) has the molecular formula C18H19F3N6O3 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameVWIVRNWTLKBLTF-UHFFFAOYSA-N
PubChem CID142483378
Molecular FormulaC18H19F3N6O3
Molecular Weight424.38 g/mol
Exact Mass424.15
IUPAC NameN-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(CC(F)(F)F)NC(O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
InChIInChI=1S/C18H19F3N6O3/c1-17(7-18(19,20)21)26-15(29)11-5-4-10(16(30)27(11)17)24-12-6-13(23-8-22-12)25-14(28)9-2-3-9/h4-6,8-9,15,26,29H,2-3,7H2,1H3,(H2,22,23,24,25,28)
InChIKeyVWIVRNWTLKBLTF-UHFFFAOYSA-N
XLogP1.95
TPSA121.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of VWIVRNWTLKBLTF-UHFFFAOYSA-N?
The IUPAC name of VWIVRNWTLKBLTF-UHFFFAOYSA-N (CID 142483378) is N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for VWIVRNWTLKBLTF-UHFFFAOYSA-N?
The canonical SMILES for VWIVRNWTLKBLTF-UHFFFAOYSA-N is CC1(CC(F)(F)F)NC(O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.
What is the InChIKey of VWIVRNWTLKBLTF-UHFFFAOYSA-N?
The InChIKey is VWIVRNWTLKBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O3/c1-17(7-18(19,20)21)26-15(29)11-5-4-10(16(30)27(11)17)24-12-6-13(23-8-22-12)25-14(28)9-2-3-9/h4-6,8-9,15,26,29H,2-3,7H2,1H3,(H2,22,23,24,25,28).
What are the key properties of VWIVRNWTLKBLTF-UHFFFAOYSA-N?
VWIVRNWTLKBLTF-UHFFFAOYSA-N has a molecular weight of 424.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for VWIVRNWTLKBLTF-UHFFFAOYSA-N is sourced from PubChem (CID 142483378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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