2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C23H25F2N7O — CID 155214078

IUPAC2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCC(C)c1nc2cc(-c3cnn(C(CC)c4ccc(C(F)F)nc4)c3)cc(C(N)=O)n2n1
InChIInChI=1S/C23H25F2N7O/c1-4-13(3)23-29-20-9-15(8-19(22(26)33)32(20)30-23)16-11-28-31(12-16)18(5-2)14-6-7-17(21(24)25)27-10-14/h6-13,18,21H,4-5H2,1-3H3,(H2,26,33)
InChIKeyBDUQOEODXTZTCX-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.54
Rot. Bonds8

About 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 155214078) has the molecular formula C23H25F2N7O and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID155214078
Molecular FormulaC23H25F2N7O
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCC(C)c1nc2cc(-c3cnn(C(CC)c4ccc(C(F)F)nc4)c3)cc(C(N)=O)n2n1
InChIInChI=1S/C23H25F2N7O/c1-4-13(3)23-29-20-9-15(8-19(22(26)33)32(20)30-23)16-11-28-31(12-16)18(5-2)14-6-7-17(21(24)25)27-10-14/h6-13,18,21H,4-5H2,1-3H3,(H2,26,33)
InChIKeyBDUQOEODXTZTCX-UHFFFAOYSA-N
XLogP4.54
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 155214078) is 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is CCC(C)c1nc2cc(-c3cnn(C(CC)c4ccc(C(F)F)nc4)c3)cc(C(N)=O)n2n1.
What is the InChIKey of 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is BDUQOEODXTZTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O/c1-4-13(3)23-29-20-9-15(8-19(22(26)33)32(20)30-23)16-11-28-31(12-16)18(5-2)14-6-7-17(21(24)25)27-10-14/h6-13,18,21H,4-5H2,1-3H3,(H2,26,33).
What are the key properties of 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-7-[1-[1-[6-(difluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 155214078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).