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

C25H28FN5O3 — CID 134609661

IUPACN-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(C)COC1
InChIInChI=1S/C25H28FN5O3/c1-6-34-23-19(25(5)13-33-14-25)11-20(30-31-23)18-10-17(12-28-15(18)2)29-22(32)16-7-8-27-21(9-16)24(3,4)26/h7-12H,6,13-14H2,1-5H3,(H,29,32)
InChIKeyYTWZCJWFFFAMFJ-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.39
Rot. Bonds7

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

N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 134609661) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID134609661
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC NameN-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(C)COC1
InChIInChI=1S/C25H28FN5O3/c1-6-34-23-19(25(5)13-33-14-25)11-20(30-31-23)18-10-17(12-28-15(18)2)29-22(32)16-7-8-27-21(9-16)24(3,4)26/h7-12H,6,13-14H2,1-5H3,(H,29,32)
InChIKeyYTWZCJWFFFAMFJ-UHFFFAOYSA-N
XLogP4.39
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 134609661) is N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(C)COC1.
What is the InChIKey of N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is YTWZCJWFFFAMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-6-34-23-19(25(5)13-33-14-25)11-20(30-31-23)18-10-17(12-28-15(18)2)29-22(32)16-7-8-27-21(9-16)24(3,4)26/h7-12H,6,13-14H2,1-5H3,(H,29,32).
What are the key properties of N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134609661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).