1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea

C19H21ClN4O2 — CID 53144630

IUPAC1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
SMILESCOCCn1cc(CCNC(=O)Nc2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C19H21ClN4O2/c1-26-12-11-24-13-14(17-3-2-9-21-18(17)24)8-10-22-19(25)23-16-6-4-15(20)5-7-16/h2-7,9,13H,8,10-12H2,1H3,(H2,22,23,25)
InChIKeyJAVPCBWHNRFBLU-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.70
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea

1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea (PubChem CID 53144630) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
PubChem CID53144630
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
SMILESCOCCn1cc(CCNC(=O)Nc2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C19H21ClN4O2/c1-26-12-11-24-13-14(17-3-2-9-21-18(17)24)8-10-22-19(25)23-16-6-4-15(20)5-7-16/h2-7,9,13H,8,10-12H2,1H3,(H2,22,23,25)
InChIKeyJAVPCBWHNRFBLU-UHFFFAOYSA-N
XLogP3.70
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea (CID 53144630) is 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea is COCCn1cc(CCNC(=O)Nc2ccc(Cl)cc2)c2cccnc21.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea?
The InChIKey is JAVPCBWHNRFBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-26-12-11-24-13-14(17-3-2-9-21-18(17)24)8-10-22-19(25)23-16-6-4-15(20)5-7-16/h2-7,9,13H,8,10-12H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea?
1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea has a molecular weight of 372.86 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea is sourced from PubChem (CID 53144630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).