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

C22H22N6O2S — CID 90683896

IUPAC4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1
InChIInChI=1S/C22H22N6O2S/c1-12(2)18-10-31-22(27-18)21(30)26-15-5-14(6-23-7-15)19(29)17-9-28(13(3)4)20-16(17)8-24-11-25-20/h5-13H,1-4H3,(H,26,30)
InChIKeyYMPWDVHERDVNIW-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.47
Rot. Bonds6

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

4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 90683896) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID90683896
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1
InChIInChI=1S/C22H22N6O2S/c1-12(2)18-10-31-22(27-18)21(30)26-15-5-14(6-23-7-15)19(29)17-9-28(13(3)4)20-16(17)8-24-11-25-20/h5-13H,1-4H3,(H,26,30)
InChIKeyYMPWDVHERDVNIW-UHFFFAOYSA-N
XLogP4.47
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-N-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridine-7-carboxamide
CID 5280251
2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 58180591
N,N-dicyclopropyl-7-[[5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-methyl-1,3-thiazol-2-yl]amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 89765129
6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
6-pyridin-2-yl-N-thiophen-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 155551480
3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-N-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide
CID 5280250
3-Pyridinecarboxamide, N-[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CID 9858254
N,N-dicyclopropyl-6-ethyl-1-methyl-4-(4-methylthiazol-2-ylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CID 58180630
2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683615
N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(3-cyclopropylpyrazol-1-yl)acetamide
CID 90683764

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 90683896) is 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1.
What is the InChIKey of 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YMPWDVHERDVNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-12(2)18-10-31-22(27-18)21(30)26-15-5-14(6-23-7-15)19(29)17-9-28(13(3)4)20-16(17)8-24-11-25-20/h5-13H,1-4H3,(H,26,30).
What are the key properties of 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide?
4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 90683896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).