1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea

C17H24N4O — CID 53144575

IUPAC1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NC2CCCCC2)c2cccnc21
InChIInChI=1S/C17H24N4O/c1-21-12-13(15-8-5-10-18-16(15)21)9-11-19-17(22)20-14-6-3-2-4-7-14/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H2,19,20,22)
InChIKeyDERZYSKTXLAEMX-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.75
Rot. Bonds4

About 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea (PubChem CID 53144575) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
PubChem CID53144575
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NC2CCCCC2)c2cccnc21
InChIInChI=1S/C17H24N4O/c1-21-12-13(15-8-5-10-18-16(15)21)9-11-19-17(22)20-14-6-3-2-4-7-14/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H2,19,20,22)
InChIKeyDERZYSKTXLAEMX-UHFFFAOYSA-N
XLogP2.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53144596
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
CID 146108760
N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144389
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 53145071
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53144407
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea (CID 53144575) is 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea is Cn1cc(CCNC(=O)NC2CCCCC2)c2cccnc21.
What is the InChIKey of 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
The InChIKey is DERZYSKTXLAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-21-12-13(15-8-5-10-18-16(15)21)9-11-19-17(22)20-14-6-3-2-4-7-14/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea has a molecular weight of 300.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 53144575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).