3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C21H23FN6O2S — CID 146925252

IUPAC3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)c(N)c2cc1F
InChIInChI=1S/C21H23FN6O2S/c1-11-15(22)7-14-18(23)19(31-21(14)26-11)20(29)27-13-6-12-9-25-17(8-16(12)30-10-13)28-4-2-24-3-5-28/h7-9,13,24H,2-6,10,23H2,1H3,(H,27,29)/t13-/m1/s1
InChIKeyADYKZSLPTMUICN-CYBMUJFWSA-N
MW442.52 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 146925252) has the molecular formula C21H23FN6O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID146925252
Molecular FormulaC21H23FN6O2S
Molecular Weight442.52 g/mol
Exact Mass442.16
IUPAC Name3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)c(N)c2cc1F
InChIInChI=1S/C21H23FN6O2S/c1-11-15(22)7-14-18(23)19(31-21(14)26-11)20(29)27-13-6-12-9-25-17(8-16(12)30-10-13)28-4-2-24-3-5-28/h7-9,13,24H,2-6,10,23H2,1H3,(H,27,29)/t13-/m1/s1
InChIKeyADYKZSLPTMUICN-CYBMUJFWSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 146925252) is 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ncc4C3)c(N)c2cc1F.
What is the InChIKey of 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ADYKZSLPTMUICN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23FN6O2S/c1-11-15(22)7-14-18(23)19(31-21(14)26-11)20(29)27-13-6-12-9-25-17(8-16(12)30-10-13)28-4-2-24-3-5-28/h7-9,13,24H,2-6,10,23H2,1H3,(H,27,29)/t13-/m1/s1.
What are the key properties of 3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[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-5-fluoro-6-methyl-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 146925252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).