6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide

C27H25FN6O2 — CID 169024738

IUPAC6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4cnnc(C(C)(C)F)c4)ccc3C)ccn2)ccn1
InChIInChI=1S/C27H25FN6O2/c1-16-5-6-20(33-25(35)19-13-24(27(2,3)28)34-32-15-19)14-21(16)17-7-9-30-22(11-17)18-8-10-31-23(12-18)26(36)29-4/h5-15H,1-4H3,(H,29,36)(H,33,35)
InChIKeyIPWVIVFNWBEPQE-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.73
Rot. Bonds6

About 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide

6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide (PubChem CID 169024738) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide
PubChem CID169024738
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4cnnc(C(C)(C)F)c4)ccc3C)ccn2)ccn1
InChIInChI=1S/C27H25FN6O2/c1-16-5-6-20(33-25(35)19-13-24(27(2,3)28)34-32-15-19)14-21(16)17-7-9-30-22(11-17)18-8-10-31-23(12-18)26(36)29-4/h5-15H,1-4H3,(H,29,36)(H,33,35)
InChIKeyIPWVIVFNWBEPQE-UHFFFAOYSA-N
XLogP4.73
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide (CID 169024738) is 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4cnnc(C(C)(C)F)c4)ccc3C)ccn2)ccn1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is IPWVIVFNWBEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-16-5-6-20(33-25(35)19-13-24(27(2,3)28)34-32-15-19)14-21(16)17-7-9-30-22(11-17)18-8-10-31-23(12-18)26(36)29-4/h5-15H,1-4H3,(H,29,36)(H,33,35).
What are the key properties of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 169024738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).