1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea

C20H23ClN4O — CID 53144667

IUPAC1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
SMILESCCCn1cc(CCNC(=O)Nc2ccc(C)c(Cl)c2)c2cccnc21
InChIInChI=1S/C20H23ClN4O/c1-3-11-25-13-15(17-5-4-9-22-19(17)25)8-10-23-20(26)24-16-7-6-14(2)18(21)12-16/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H2,23,24,26)
InChIKeyVJJFOMBRDNVHQP-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.77
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea

1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea (PubChem CID 53144667) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
PubChem CID53144667
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
SMILESCCCn1cc(CCNC(=O)Nc2ccc(C)c(Cl)c2)c2cccnc21
InChIInChI=1S/C20H23ClN4O/c1-3-11-25-13-15(17-5-4-9-22-19(17)25)8-10-23-20(26)24-16-7-6-14(2)18(21)12-16/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H2,23,24,26)
InChIKeyVJJFOMBRDNVHQP-UHFFFAOYSA-N
XLogP4.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
CID 53144630
1-(2-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
CID 53144645
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
1-(2-chloro-4-methylphenyl)-3-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
CID 53144717
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluoro-2-methylphenyl)urea
CID 53144570
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
2,3,5,6-tetramethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144876
2,4,5-trimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144859
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea (CID 53144667) is 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea is CCCn1cc(CCNC(=O)Nc2ccc(C)c(Cl)c2)c2cccnc21.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The InChIKey is VJJFOMBRDNVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-3-11-25-13-15(17-5-4-9-22-19(17)25)8-10-23-20(26)24-16-7-6-14(2)18(21)12-16/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea has a molecular weight of 370.88 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 53144667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).