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

C23H20N8O2 — CID 90683668

IUPAC2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cccnc4n3)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-14(2)31-12-19(18-10-25-13-27-22(18)31)21(33)15-6-16(9-24-8-15)28-20(32)7-17-11-30-5-3-4-26-23(30)29-17/h3-6,8-14H,7H2,1-2H3,(H,28,32)
InChIKeyWHDCCSLHXQZBCW-UHFFFAOYSA-N
MW440.47 g/mol
LogP2.86
Rot. Bonds6

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

2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683668) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683668
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4cccnc4n3)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-14(2)31-12-19(18-10-25-13-27-22(18)31)21(33)15-6-16(9-24-8-15)28-20(32)7-17-11-30-5-3-4-26-23(30)29-17/h3-6,8-14H,7H2,1-2H3,(H,28,32)
InChIKeyWHDCCSLHXQZBCW-UHFFFAOYSA-N
XLogP2.86
TPSA119.96 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683668) is 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-imidazo[1,2-a]pyrimidin-2-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)Cc3cn4cccnc4n3)c2)c2cncnc21.
What is the InChIKey of 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is WHDCCSLHXQZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-14(2)31-12-19(18-10-25-13-27-22(18)31)21(33)15-6-16(9-24-8-15)28-20(32)7-17-11-30-5-3-4-26-23(30)29-17/h3-6,8-14H,7H2,1-2H3,(H,28,32).
What are the key properties of 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-imidazo[1,2-a]pyrimidin-2-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 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyrimidin-2-yl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).