1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea

C27H27ClN6O2 — CID 58857995

IUPAC1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESCc1cn2c(N3CCN(C(=O)[C@H](NC(=O)Nc4ccc(Cl)cc4)c4ccccc4)CC3)cccc2n1
InChIInChI=1S/C27H27ClN6O2/c1-19-18-34-23(29-19)8-5-9-24(34)32-14-16-33(17-15-32)26(35)25(20-6-3-2-4-7-20)31-27(36)30-22-12-10-21(28)11-13-22/h2-13,18,25H,14-17H2,1H3,(H2,30,31,36)/t25-/m1/s1
InChIKeyOLKNWSIWKJQKST-RUZDIDTESA-N
MW503.01 g/mol
LogP4.51
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea

1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 58857995) has the molecular formula C27H27ClN6O2 and a molecular weight of 503.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
PubChem CID58857995
Molecular FormulaC27H27ClN6O2
Molecular Weight503.01 g/mol
Exact Mass502.19
IUPAC Name1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESCc1cn2c(N3CCN(C(=O)[C@H](NC(=O)Nc4ccc(Cl)cc4)c4ccccc4)CC3)cccc2n1
InChIInChI=1S/C27H27ClN6O2/c1-19-18-34-23(29-19)8-5-9-24(34)32-14-16-33(17-15-32)26(35)25(20-6-3-2-4-7-20)31-27(36)30-22-12-10-21(28)11-13-22/h2-13,18,25H,14-17H2,1H3,(H2,30,31,36)/t25-/m1/s1
InChIKeyOLKNWSIWKJQKST-RUZDIDTESA-N
XLogP4.51
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.01
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 159427910
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CID 52525109
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2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopyrrolidin-1-yl)phenyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea (CID 58857995) is 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea is Cc1cn2c(N3CCN(C(=O)[C@H](NC(=O)Nc4ccc(Cl)cc4)c4ccccc4)CC3)cccc2n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The InChIKey is OLKNWSIWKJQKST-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27ClN6O2/c1-19-18-34-23(29-19)8-5-9-24(34)32-14-16-33(17-15-32)26(35)25(20-6-3-2-4-7-20)31-27(36)30-22-12-10-21(28)11-13-22/h2-13,18,25H,14-17H2,1H3,(H2,30,31,36)/t25-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 503.01 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 58857995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).