6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide

C24H26FN7O2 — CID 143997022

IUPAC6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3cc(NC4=NCNCC4)c(=O)[nH]n3)ccc2F)cn1
InChIInChI=1S/C24H26FN7O2/c1-24(2,3)20-7-5-15(12-27-20)22(33)30-18-10-14(4-6-16(18)25)17-11-19(23(34)32-31-17)29-21-8-9-26-13-28-21/h4-7,10-12,26H,8-9,13H2,1-3H3,(H,30,33)(H,32,34)(H,28,29,31)
InChIKeyAXSISQQWEDXEAZ-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.28
Rot. Bonds4

About 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide

6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 143997022) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID143997022
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3cc(NC4=NCNCC4)c(=O)[nH]n3)ccc2F)cn1
InChIInChI=1S/C24H26FN7O2/c1-24(2,3)20-7-5-15(12-27-20)22(33)30-18-10-14(4-6-16(18)25)17-11-19(23(34)32-31-17)29-21-8-9-26-13-28-21/h4-7,10-12,26H,8-9,13H2,1-3H3,(H,30,33)(H,32,34)(H,28,29,31)
InChIKeyAXSISQQWEDXEAZ-UHFFFAOYSA-N
XLogP3.28
TPSA124.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide (CID 143997022) is 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2cc(-c3cc(NC4=NCNCC4)c(=O)[nH]n3)ccc2F)cn1.
What is the InChIKey of 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is AXSISQQWEDXEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-24(2,3)20-7-5-15(12-27-20)22(33)30-18-10-14(4-6-16(18)25)17-11-19(23(34)32-31-17)29-21-8-9-26-13-28-21/h4-7,10-12,26H,8-9,13H2,1-3H3,(H,30,33)(H,32,34)(H,28,29,31).
What are the key properties of 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide?
6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(1,2,5,6-tetrahydropyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 143997022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).