2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C22H18ClN7O2S — CID 90683831

IUPAC2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cc(Cl)sc4n3)c2)c2cncnc21
InChIInChI=1S/C22H18ClN7O2S/c1-12(2)30-9-17(16-7-25-11-26-21(16)30)20(32)13-3-14(6-24-5-13)27-19(31)4-15-8-29-10-18(23)33-22(29)28-15/h3,5-12H,4H2,1-2H3,(H,27,31)
InChIKeyVXLPMQBWIMXBAY-UHFFFAOYSA-N
MW479.95 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683831) has the molecular formula C22H18ClN7O2S and a molecular weight of 479.95 g/mol. Its IUPAC name is 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683831
Molecular FormulaC22H18ClN7O2S
Molecular Weight479.95 g/mol
Exact Mass479.09
IUPAC Name2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cc(Cl)sc4n3)c2)c2cncnc21
InChIInChI=1S/C22H18ClN7O2S/c1-12(2)30-9-17(16-7-25-11-26-21(16)30)20(32)13-3-14(6-24-5-13)27-19(31)4-15-8-29-10-18(23)33-22(29)28-15/h3,5-12H,4H2,1-2H3,(H,27,31)
InChIKeyVXLPMQBWIMXBAY-UHFFFAOYSA-N
XLogP4.18
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683831) is 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cc(Cl)sc4n3)c2)c2cncnc21.
What is the InChIKey of 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is VXLPMQBWIMXBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O2S/c1-12(2)30-9-17(16-7-25-11-26-21(16)30)20(32)13-3-14(6-24-5-13)27-19(31)4-15-8-29-10-18(23)33-22(29)28-15/h3,5-12H,4H2,1-2H3,(H,27,31).
What are the key properties of 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 479.95 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).