1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea

C15H21N5O — CID 11098166

IUPAC1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
SMILESCNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)
InChIKeyOPIDMBKDLIZFRZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.12
Rot. Bonds2

About 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea

1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea (PubChem CID 11098166) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
PubChem CID11098166
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
SMILESCNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)
InChIKeyOPIDMBKDLIZFRZ-UHFFFAOYSA-N
XLogP2.12
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea?
The IUPAC name of 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea (CID 11098166) is 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea.
What is the SMILES notation for 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea?
The canonical SMILES for 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea is CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1.
What is the InChIKey of 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea?
The InChIKey is OPIDMBKDLIZFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21).
What are the key properties of 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea?
1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea is sourced from PubChem (CID 11098166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).