2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide

C24H25F2N5O3 — CID 134609458

IUPAC2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1C1(C)COC1
InChIInChI=1S/C24H25F2N5O3/c1-5-34-22-18(23(3)12-33-13-23)10-19(30-31-22)17-9-16(11-28-14(17)2)29-21(32)15-6-7-27-20(8-15)24(4,25)26/h6-11H,5,12-13H2,1-4H3,(H,29,32)
InChIKeyOQXATZCVEBFCLS-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.29
Rot. Bonds7

About 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide

2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 134609458) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
PubChem CID134609458
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC Name2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1C1(C)COC1
InChIInChI=1S/C24H25F2N5O3/c1-5-34-22-18(23(3)12-33-13-23)10-19(30-31-22)17-9-16(11-28-14(17)2)29-21(32)15-6-7-27-20(8-15)24(4,25)26/h6-11H,5,12-13H2,1-4H3,(H,29,32)
InChIKeyOQXATZCVEBFCLS-UHFFFAOYSA-N
XLogP4.29
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (CID 134609458) is 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2C)cc1C1(C)COC1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is OQXATZCVEBFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-5-34-22-18(23(3)12-33-13-23)10-19(30-31-22)17-9-16(11-28-14(17)2)29-21(32)15-6-7-27-20(8-15)24(4,25)26/h6-11H,5,12-13H2,1-4H3,(H,29,32).
What are the key properties of 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 134609458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).