6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide

C25H28FN5O3 — CID 90456741

IUPAC6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H28FN5O3/c1-16-5-6-19(28-23(32)17-12-22(25(2,3)26)29-27-14-17)13-20(16)18-11-21(24(33)30(4)15-18)31-7-9-34-10-8-31/h5-6,11-15H,7-10H2,1-4H3,(H,28,32)
InChIKeyMPTQJSMHMFCYLA-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.44
Rot. Bonds5

About 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide

6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide (PubChem CID 90456741) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide
PubChem CID90456741
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C25H28FN5O3/c1-16-5-6-19(28-23(32)17-12-22(25(2,3)26)29-27-14-17)13-20(16)18-11-21(24(33)30(4)15-18)31-7-9-34-10-8-31/h5-6,11-15H,7-10H2,1-4H3,(H,28,32)
InChIKeyMPTQJSMHMFCYLA-UHFFFAOYSA-N
XLogP3.44
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide (CID 90456741) is 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is MPTQJSMHMFCYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-16-5-6-19(28-23(32)17-12-22(25(2,3)26)29-27-14-17)13-20(16)18-11-21(24(33)30(4)15-18)31-7-9-34-10-8-31/h5-6,11-15H,7-10H2,1-4H3,(H,28,32).
What are the key properties of 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide?
6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90456741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).