3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C23H24F2N4O2S — CID 137480889

IUPAC3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCC(F)(F)CC5)ccc4C3)sc2n1
InChIInChI=1S/C23H24F2N4O2S/c1-13-2-5-17-19(26)20(32-22(17)27-13)21(30)28-15-10-14-3-4-16(11-18(14)31-12-15)29-8-6-23(24,25)7-9-29/h2-5,11,15H,6-10,12,26H2,1H3,(H,28,30)/t15-/m1/s1
InChIKeyQYLSDBAGGNISLP-OAHLLOKOSA-N
MW458.53 g/mol
LogP4.16
Rot. Bonds3

About 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137480889) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137480889
Molecular FormulaC23H24F2N4O2S
Molecular Weight458.53 g/mol
Exact Mass458.16
IUPAC Name3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCC(F)(F)CC5)ccc4C3)sc2n1
InChIInChI=1S/C23H24F2N4O2S/c1-13-2-5-17-19(26)20(32-22(17)27-13)21(30)28-15-10-14-3-4-16(11-18(14)31-12-15)29-8-6-23(24,25)7-9-29/h2-5,11,15H,6-10,12,26H2,1H3,(H,28,30)/t15-/m1/s1
InChIKeyQYLSDBAGGNISLP-OAHLLOKOSA-N
XLogP4.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-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-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137480889) is 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCC(F)(F)CC5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QYLSDBAGGNISLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c1-13-2-5-17-19(26)20(32-22(17)27-13)21(30)28-15-10-14-3-4-16(11-18(14)31-12-15)29-8-6-23(24,25)7-9-29/h2-5,11,15H,6-10,12,26H2,1H3,(H,28,30)/t15-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-(4,4-difluoropiperidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137480889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).