3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C23H19N7O3 — CID 90683966

IUPAC3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12
InChIInChI=1S/C23H19N7O3/c1-12(2)30-10-19(18-9-25-11-27-21(18)30)20(31)14-4-16(8-24-6-14)28-22(32)15-5-17-13(3)29-33-23(17)26-7-15/h4-12H,1-3H3,(H,28,32)
InChIKeyOJKKPPDAGNYHQN-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.74
Rot. Bonds5

About 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 90683966) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID90683966
Molecular FormulaC23H19N7O3
Molecular Weight441.45 g/mol
Exact Mass441.15
IUPAC Name3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12
InChIInChI=1S/C23H19N7O3/c1-12(2)30-10-19(18-9-25-11-27-21(18)30)20(31)14-4-16(8-24-6-14)28-22(32)15-5-17-13(3)29-33-23(17)26-7-15/h4-12H,1-3H3,(H,28,32)
InChIKeyOJKKPPDAGNYHQN-UHFFFAOYSA-N
XLogP3.74
TPSA128.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 90683966) is 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12.
What is the InChIKey of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OJKKPPDAGNYHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c1-12(2)30-10-19(18-9-25-11-27-21(18)30)20(31)14-4-16(8-24-6-14)28-22(32)15-5-17-13(3)29-33-23(17)26-7-15/h4-12H,1-3H3,(H,28,32).
What are the key properties of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90683966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).