1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

C22H23N7O — CID 45484816

IUPAC1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C(C)C)cn3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C22H23N7O/c1-4-24-22(30)28-19-13-29-18(21-25-11-17(12-26-21)14(2)3)8-16(9-20(29)27-19)15-6-5-7-23-10-15/h5-14H,4H2,1-3H3,(H2,24,28,30)
InChIKeyPWXQYTWWLZHTSG-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.12
Rot. Bonds5

About 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 45484816) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
PubChem CID45484816
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C(C)C)cn3)cc(-c3cccnc3)cc2n1
InChIInChI=1S/C22H23N7O/c1-4-24-22(30)28-19-13-29-18(21-25-11-17(12-26-21)14(2)3)8-16(9-20(29)27-19)15-6-5-7-23-10-15/h5-14H,4H2,1-3H3,(H2,24,28,30)
InChIKeyPWXQYTWWLZHTSG-UHFFFAOYSA-N
XLogP4.12
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 45484816) is 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncc(C(C)C)cn3)cc(-c3cccnc3)cc2n1.
What is the InChIKey of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is PWXQYTWWLZHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-4-24-22(30)28-19-13-29-18(21-25-11-17(12-26-21)14(2)3)8-16(9-20(29)27-19)15-6-5-7-23-10-15/h5-14H,4H2,1-3H3,(H2,24,28,30).
What are the key properties of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 401.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 45484816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).