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

C21H19N7O2 — CID 90683872

IUPAC5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCc1cncnc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C21H19N7O2/c1-12(2)28-9-17(16-8-24-11-26-20(16)28)19(29)14-4-15(7-22-6-14)27-21(30)18-13(3)5-23-10-25-18/h4-12H,1-3H3,(H,27,30)
InChIKeyRETGNGPOOFDTDT-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.99
Rot. Bonds5

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

5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 90683872) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID90683872
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCc1cncnc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C21H19N7O2/c1-12(2)28-9-17(16-8-24-11-26-20(16)28)19(29)14-4-15(7-22-6-14)27-21(30)18-13(3)5-23-10-25-18/h4-12H,1-3H3,(H,27,30)
InChIKeyRETGNGPOOFDTDT-UHFFFAOYSA-N
XLogP2.99
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 90683887
1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide
CID 90683926
1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrrolo[2,3-c]pyridine-3-carboxamide
CID 90683915
4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 90683868
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90683861
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 90683906
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
CID 70817901
2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683826
2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683822
2-(2-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683597
(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
CID 141348770
2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683670

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide (CID 90683872) is 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide is Cc1cncnc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1.
What is the InChIKey of 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is RETGNGPOOFDTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-12(2)28-9-17(16-8-24-11-26-20(16)28)19(29)14-4-15(7-22-6-14)27-21(30)18-13(3)5-23-10-25-18/h4-12H,1-3H3,(H,27,30).
What are the key properties of 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide?
5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 90683872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).