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

C18H23N5O2 — CID 176561743

IUPAC1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCN(C)CC2)c2ncc(N3CCC(=O)NC3=O)cc12
InChIInChI=1S/C18H23N5O2/c1-12-11-23(13-3-6-21(2)7-4-13)17-15(12)9-14(10-19-17)22-8-5-16(24)20-18(22)25/h9-11,13H,3-8H2,1-2H3,(H,20,24,25)
InChIKeySESWHSPFJMNDOX-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.06
Rot. Bonds2

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

1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 176561743) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID176561743
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCN(C)CC2)c2ncc(N3CCC(=O)NC3=O)cc12
InChIInChI=1S/C18H23N5O2/c1-12-11-23(13-3-6-21(2)7-4-13)17-15(12)9-14(10-19-17)22-8-5-16(24)20-18(22)25/h9-11,13H,3-8H2,1-2H3,(H,20,24,25)
InChIKeySESWHSPFJMNDOX-UHFFFAOYSA-N
XLogP2.06
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione (CID 176561743) is 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione is Cc1cn(C2CCN(C)CC2)c2ncc(N3CCC(=O)NC3=O)cc12.
What is the InChIKey of 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is SESWHSPFJMNDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-11-23(13-3-6-21(2)7-4-13)17-15(12)9-14(10-19-17)22-8-5-16(24)20-18(22)25/h9-11,13H,3-8H2,1-2H3,(H,20,24,25).
What are the key properties of 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 341.42 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176561743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).