N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide

C23H20N8O2 — CID 90683684

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4nccnc34)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-13(2)31-11-18(17-10-25-12-29-23(17)31)21(33)15-5-16(9-24-7-15)30-19(32)6-14-8-28-22-20(14)26-3-4-27-22/h3-5,7-13H,6H2,1-2H3,(H,27,28)(H,30,32)
InChIKeyRWCVIULFXQKVPW-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.09
Rot. Bonds6

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide (PubChem CID 90683684) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide
PubChem CID90683684
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4nccnc34)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-13(2)31-11-18(17-10-25-12-29-23(17)31)21(33)15-5-16(9-24-7-15)30-19(32)6-14-8-28-22-20(14)26-3-4-27-22/h3-5,7-13H,6H2,1-2H3,(H,27,28)(H,30,32)
InChIKeyRWCVIULFXQKVPW-UHFFFAOYSA-N
XLogP3.09
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide (CID 90683684) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4nccnc34)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide?
The InChIKey is RWCVIULFXQKVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-13(2)31-11-18(17-10-25-12-29-23(17)31)21(33)15-5-16(9-24-7-15)30-19(32)6-14-8-28-22-20(14)26-3-4-27-22/h3-5,7-13H,6H2,1-2H3,(H,27,28)(H,30,32).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide has a molecular weight of 440.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide is sourced from PubChem (CID 90683684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).