1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione

C16H20N6O2 — CID 170640135

IUPAC1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ncc(C3CCNCC3)cc21
InChIInChI=1S/C16H20N6O2/c1-21-12-8-11(10-2-5-17-6-3-10)9-18-14(12)15(20-21)22-7-4-13(23)19-16(22)24/h8-10,17H,2-7H2,1H3,(H,19,23,24)
InChIKeyDCSTUHBSYKRATK-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.88
Rot. Bonds2

About 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione

1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 170640135) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
PubChem CID170640135
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ncc(C3CCNCC3)cc21
InChIInChI=1S/C16H20N6O2/c1-21-12-8-11(10-2-5-17-6-3-10)9-18-14(12)15(20-21)22-7-4-13(23)19-16(22)24/h8-10,17H,2-7H2,1H3,(H,19,23,24)
InChIKeyDCSTUHBSYKRATK-UHFFFAOYSA-N
XLogP0.88
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione (CID 170640135) is 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ncc(C3CCNCC3)cc21.
What is the InChIKey of 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is DCSTUHBSYKRATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21-12-8-11(10-2-5-17-6-3-10)9-18-14(12)15(20-21)22-7-4-13(23)19-16(22)24/h8-10,17H,2-7H2,1H3,(H,19,23,24).
What are the key properties of 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 328.38 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170640135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).