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

C23H20N8O2 — CID 90683919

IUPAC2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C23H20N8O2/c1-13(2)31-11-18(17-10-25-12-27-21(17)31)20(32)15-7-16(9-24-8-15)29-22(33)19-14(3)28-23-26-5-4-6-30(19)23/h4-13H,1-3H3,(H,29,33)
InChIKeyBKJUUIGLKIESNN-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.24
Rot. Bonds5

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

2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 90683919) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID90683919
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2ncccn2c1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
InChIInChI=1S/C23H20N8O2/c1-13(2)31-11-18(17-10-25-12-27-21(17)31)20(32)15-7-16(9-24-8-15)29-22(33)19-14(3)28-23-26-5-4-6-30(19)23/h4-13H,1-3H3,(H,29,33)
InChIKeyBKJUUIGLKIESNN-UHFFFAOYSA-N
XLogP3.24
TPSA119.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 90683919) is 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide is Cc1nc2ncccn2c1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1.
What is the InChIKey of 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BKJUUIGLKIESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-13(2)31-11-18(17-10-25-12-27-21(17)31)20(32)15-7-16(9-24-8-15)29-22(33)19-14(3)28-23-26-5-4-6-30(19)23/h4-13H,1-3H3,(H,29,33).
What are the key properties of 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90683919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).