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

C23H21N7O2S — CID 90683828

IUPAC2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1cn2cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2s1
InChIInChI=1S/C23H21N7O2S/c1-13(2)30-11-19(18-8-25-12-26-22(18)30)21(32)15-4-16(7-24-6-15)27-20(31)5-17-10-29-9-14(3)33-23(29)28-17/h4,6-13H,5H2,1-3H3,(H,27,31)
InChIKeyWIVWUSOECZTCMH-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-methylimidazo[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-methylimidazo[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 90683828) has the molecular formula C23H21N7O2S and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-(2-methylimidazo[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-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683828
Molecular FormulaC23H21N7O2S
Molecular Weight459.54 g/mol
Exact Mass459.15
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1cn2cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2s1
InChIInChI=1S/C23H21N7O2S/c1-13(2)30-11-19(18-8-25-12-26-22(18)30)21(32)15-4-16(7-24-6-15)27-20(31)5-17-10-29-9-14(3)33-23(29)28-17/h4,6-13H,5H2,1-3H3,(H,27,31)
InChIKeyWIVWUSOECZTCMH-UHFFFAOYSA-N
XLogP3.84
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(2-methylimidazo[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-methylimidazo[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-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683828) is 2-(2-methylimidazo[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-methylimidazo[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-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is Cc1cn2cc(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2s1.
What is the InChIKey of 2-(2-methylimidazo[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 WIVWUSOECZTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2S/c1-13(2)30-11-19(18-8-25-12-26-22(18)30)21(32)15-4-16(7-24-6-15)27-20(31)5-17-10-29-9-14(3)33-23(29)28-17/h4,6-13H,5H2,1-3H3,(H,27,31).
What are the key properties of 2-(2-methylimidazo[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-methylimidazo[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 459.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[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 90683828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).