2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C23H20N8O2 — CID 90683660

IUPAC2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nnc4ccccc43)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-14(2)30-11-18(17-10-25-13-26-23(17)30)22(33)15-7-16(9-24-8-15)27-21(32)12-31-20-6-4-3-5-19(20)28-29-31/h3-11,13-14H,12H2,1-2H3,(H,27,32)
InChIKeyDXFZWSFPSNZTGP-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.02
Rot. Bonds6

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

2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683660) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683660
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nnc4ccccc43)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-14(2)30-11-18(17-10-25-13-26-23(17)30)22(33)15-7-16(9-24-8-15)27-21(32)12-31-20-6-4-3-5-19(20)28-29-31/h3-11,13-14H,12H2,1-2H3,(H,27,32)
InChIKeyDXFZWSFPSNZTGP-UHFFFAOYSA-N
XLogP3.02
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683660) is 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nnc4ccccc43)c2)c2cncnc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is DXFZWSFPSNZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-14(2)30-11-18(17-10-25-13-26-23(17)30)22(33)15-7-16(9-24-8-15)27-21(32)12-31-20-6-4-3-5-19(20)28-29-31/h3-11,13-14H,12H2,1-2H3,(H,27,32).
What are the key properties of 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 440.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).