2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C23H22N6O2S — CID 90683917

IUPAC2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3csc(C4CCC4)n3)c2)c2cncnc21
InChIInChI=1S/C23H22N6O2S/c1-13(2)29-10-18(17-9-25-12-26-21(17)29)20(30)15-6-16(8-24-7-15)27-22(31)19-11-32-23(28-19)14-4-3-5-14/h6-14H,3-5H2,1-2H3,(H,27,31)
InChIKeyBMDSEXYLFLNEJJ-UHFFFAOYSA-N
MW446.54 g/mol
LogP4.61
Rot. Bonds6

About 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 90683917) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID90683917
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC Name2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3csc(C4CCC4)n3)c2)c2cncnc21
InChIInChI=1S/C23H22N6O2S/c1-13(2)29-10-18(17-9-25-12-26-21(17)29)20(30)15-6-16(8-24-7-15)27-22(31)19-11-32-23(28-19)14-4-3-5-14/h6-14H,3-5H2,1-2H3,(H,27,31)
InChIKeyBMDSEXYLFLNEJJ-UHFFFAOYSA-N
XLogP4.61
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 90683917) is 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3csc(C4CCC4)n3)c2)c2cncnc21.
What is the InChIKey of 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BMDSEXYLFLNEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c1-13(2)29-10-18(17-9-25-12-26-21(17)29)20(30)15-6-16(8-24-7-15)27-22(31)19-11-32-23(28-19)14-4-3-5-14/h6-14H,3-5H2,1-2H3,(H,27,31).
What are the key properties of 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90683917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).