7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

C25H24FN7O2 — CID 118125228

IUPAC7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCC(C)(F)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnco4)ccn2)CCCN3)c1
InChIInChI=1S/C25H24FN7O2/c1-25(2,26)18-10-17(12-27-13-18)19-4-5-20-23(31-19)33(9-3-7-29-20)24(34)32-22-11-16(6-8-30-22)21-14-28-15-35-21/h4-6,8,10-15,29H,3,7,9H2,1-2H3,(H,30,32,34)
InChIKeyLTNAGQGVGRGWFF-UHFFFAOYSA-N
MW473.51 g/mol
LogP5.25
Rot. Bonds4

About 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 118125228) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID118125228
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCC(C)(F)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnco4)ccn2)CCCN3)c1
InChIInChI=1S/C25H24FN7O2/c1-25(2,26)18-10-17(12-27-13-18)19-4-5-20-23(31-19)33(9-3-7-29-20)24(34)32-22-11-16(6-8-30-22)21-14-28-15-35-21/h4-6,8,10-15,29H,3,7,9H2,1-2H3,(H,30,32,34)
InChIKeyLTNAGQGVGRGWFF-UHFFFAOYSA-N
XLogP5.25
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 118125228) is 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is CC(C)(F)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnco4)ccn2)CCCN3)c1.
What is the InChIKey of 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is LTNAGQGVGRGWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-25(2,26)18-10-17(12-27-13-18)19-4-5-20-23(31-19)33(9-3-7-29-20)24(34)32-22-11-16(6-8-30-22)21-14-28-15-35-21/h4-6,8,10-15,29H,3,7,9H2,1-2H3,(H,30,32,34).
What are the key properties of 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-fluoropropan-2-yl)-3-pyridinyl]-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 118125228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).