3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C21H23FN6O2S — CID 142528513

IUPAC3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3COc4nc(N5CCNCC5)c(F)cc4C3)sc2n1
InChIInChI=1S/C21H23FN6O2S/c1-11-2-3-14-16(23)17(31-21(14)25-11)19(29)26-13-8-12-9-15(22)18(27-20(12)30-10-13)28-6-4-24-5-7-28/h2-3,9,13,24H,4-8,10,23H2,1H3,(H,26,29)
InChIKeyRNIUNVKKNLYFAE-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 142528513) has the molecular formula C21H23FN6O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID142528513
Molecular FormulaC21H23FN6O2S
Molecular Weight442.52 g/mol
Exact Mass442.16
IUPAC Name3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3COc4nc(N5CCNCC5)c(F)cc4C3)sc2n1
InChIInChI=1S/C21H23FN6O2S/c1-11-2-3-14-16(23)17(31-21(14)25-11)19(29)26-13-8-12-9-15(22)18(27-20(12)30-10-13)28-6-4-24-5-7-28/h2-3,9,13,24H,4-8,10,23H2,1H3,(H,26,29)
InChIKeyRNIUNVKKNLYFAE-UHFFFAOYSA-N
XLogP1.86
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 142528513) is 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC3COc4nc(N5CCNCC5)c(F)cc4C3)sc2n1.
What is the InChIKey of 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RNIUNVKKNLYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2S/c1-11-2-3-14-16(23)17(31-21(14)25-11)19(29)26-13-8-12-9-15(22)18(27-20(12)30-10-13)28-6-4-24-5-7-28/h2-3,9,13,24H,4-8,10,23H2,1H3,(H,26,29).
What are the key properties of 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 142528513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).