1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea

C23H25N7O3 — CID 45484817

IUPAC1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCOC)c(=O)c3)cc2n1
InChIInChI=1S/C23H25N7O3/c1-4-24-23(32)28-19-14-30-18(22-25-12-15(2)13-26-22)9-17(10-20(30)27-19)16-5-6-29(7-8-33-3)21(31)11-16/h5-6,9-14H,4,7-8H2,1-3H3,(H2,24,28,32)
InChIKeyXRJJMGUVFQTPKV-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.72
Rot. Bonds7

About 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 45484817) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
PubChem CID45484817
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCOC)c(=O)c3)cc2n1
InChIInChI=1S/C23H25N7O3/c1-4-24-23(32)28-19-14-30-18(22-25-12-15(2)13-26-22)9-17(10-20(30)27-19)16-5-6-29(7-8-33-3)21(31)11-16/h5-6,9-14H,4,7-8H2,1-3H3,(H2,24,28,32)
InChIKeyXRJJMGUVFQTPKV-UHFFFAOYSA-N
XLogP2.72
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea (CID 45484817) is 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCOC)c(=O)c3)cc2n1.
What is the InChIKey of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
The InChIKey is XRJJMGUVFQTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-4-24-23(32)28-19-14-30-18(22-25-12-15(2)13-26-22)9-17(10-20(30)27-19)16-5-6-29(7-8-33-3)21(31)11-16/h5-6,9-14H,4,7-8H2,1-3H3,(H2,24,28,32).
What are the key properties of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?
1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 447.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 45484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).