6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide

C26H22F2N6O2 — CID 169024740

IUPAC6-(1,1-difluoroethyl)-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)(F)F)c4)ccc3C)ccn2)ccn1
InChIInChI=1S/C26H22F2N6O2/c1-15-4-5-19(33-24(35)18-12-23(26(2,27)28)34-32-14-18)13-20(15)16-6-8-30-21(10-16)17-7-9-31-22(11-17)25(36)29-3/h4-14H,1-3H3,(H,29,36)(H,33,35)
InChIKeyRBRZMDHRACFCDT-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.63
Rot. Bonds6

About 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide

6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide (PubChem CID 169024740) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide
PubChem CID169024740
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name6-(1,1-difluoroethyl)-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)(F)F)c4)ccc3C)ccn2)ccn1
InChIInChI=1S/C26H22F2N6O2/c1-15-4-5-19(33-24(35)18-12-23(26(2,27)28)34-32-14-18)13-20(15)16-6-8-30-21(10-16)17-7-9-31-22(11-17)25(36)29-3/h4-14H,1-3H3,(H,29,36)(H,33,35)
InChIKeyRBRZMDHRACFCDT-UHFFFAOYSA-N
XLogP4.63
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide (CID 169024740) is 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-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)(F)F)c4)ccc3C)ccn2)ccn1.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is RBRZMDHRACFCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-15-4-5-19(33-24(35)18-12-23(26(2,27)28)34-32-14-18)13-20(15)16-6-8-30-21(10-16)17-7-9-31-22(11-17)25(36)29-3/h4-14H,1-3H3,(H,29,36)(H,33,35).
What are the key properties of 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-[4-methyl-3-[2-[2-(methylcarbamoyl)-4-pyridinyl]-4-pyridinyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 169024740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).