N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide

C22H24FN7O2S — CID 146418413

IUPACN-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C4CCC4)C3)c2s1
InChIInChI=1S/C22H24FN7O2S/c1-11(14-6-15(23)8-24-7-14)25-22-28-17(18-19(29-22)26-12(2)33-18)21(32)30-9-16(10-30)27-20(31)13-4-3-5-13/h6-8,11,13,16H,3-5,9-10H2,1-2H3,(H,27,31)(H,25,28,29)
InChIKeyGKGXTYLQDGEGLX-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.84
Rot. Bonds6

About N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide

N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide (PubChem CID 146418413) has the molecular formula C22H24FN7O2S and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide
PubChem CID146418413
Molecular FormulaC22H24FN7O2S
Molecular Weight469.55 g/mol
Exact Mass469.17
IUPAC NameN-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C4CCC4)C3)c2s1
InChIInChI=1S/C22H24FN7O2S/c1-11(14-6-15(23)8-24-7-14)25-22-28-17(18-19(29-22)26-12(2)33-18)21(32)30-9-16(10-30)27-20(31)13-4-3-5-13/h6-8,11,13,16H,3-5,9-10H2,1-2H3,(H,27,31)(H,25,28,29)
InChIKeyGKGXTYLQDGEGLX-UHFFFAOYSA-N
XLogP2.84
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide (CID 146418413) is N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide is Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(NC(=O)C4CCC4)C3)c2s1.
What is the InChIKey of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide?
The InChIKey is GKGXTYLQDGEGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2S/c1-11(14-6-15(23)8-24-7-14)25-22-28-17(18-19(29-22)26-12(2)33-18)21(32)30-9-16(10-30)27-20(31)13-4-3-5-13/h6-8,11,13,16H,3-5,9-10H2,1-2H3,(H,27,31)(H,25,28,29).
What are the key properties of N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide?
N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide has a molecular weight of 469.55 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 146418413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).