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

C24H21N7O2 — CID 90683871

IUPAC5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cnc2[nH]cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1
InChIInChI=1S/C24H21N7O2/c1-13(2)31-11-20(18-9-26-12-29-23(18)31)21(32)15-5-16(8-25-7-15)30-24(33)19-10-28-22-17(19)4-14(3)6-27-22/h4-13H,1-3H3,(H,27,28)(H,30,33)
InChIKeyHSIBFHYDRWLHLF-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.08
Rot. Bonds5

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

5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 90683871) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID90683871
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cnc2[nH]cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1
InChIInChI=1S/C24H21N7O2/c1-13(2)31-11-20(18-9-26-12-29-23(18)31)21(32)15-5-16(8-25-7-15)30-24(33)19-10-28-22-17(19)4-14(3)6-27-22/h4-13H,1-3H3,(H,27,28)(H,30,33)
InChIKeyHSIBFHYDRWLHLF-UHFFFAOYSA-N
XLogP4.08
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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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]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 90683871) is 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cnc2[nH]cc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2c1.
What is the InChIKey of 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HSIBFHYDRWLHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-13(2)31-11-20(18-9-26-12-29-23(18)31)21(32)15-5-16(8-25-7-15)30-24(33)19-10-28-22-17(19)4-14(3)6-27-22/h4-13H,1-3H3,(H,27,28)(H,30,33).
What are the key properties of 5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 90683871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).