3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C26H33FN6O3S — CID 172540504

IUPAC3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOC(C)COC1CN(c2cc(F)c3c(n2)CCC(NC(=O)c2sc4nc(C)ccc4c2N)C3)CC1N
InChIInChI=1S/C26H33FN6O3S/c1-13-4-6-16-23(29)24(37-26(16)30-13)25(34)31-15-5-7-20-17(8-15)18(27)9-22(32-20)33-10-19(28)21(11-33)36-12-14(2)35-3/h4,6,9,14-15,19,21H,5,7-8,10-12,28-29H2,1-3H3,(H,31,34)
InChIKeyUAZKCYGIFHPXBX-UHFFFAOYSA-N
MW528.65 g/mol
LogP2.58
Rot. Bonds7

About 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 172540504) has the molecular formula C26H33FN6O3S and a molecular weight of 528.65 g/mol. Its IUPAC name is 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID172540504
Molecular FormulaC26H33FN6O3S
Molecular Weight528.65 g/mol
Exact Mass528.23
IUPAC Name3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOC(C)COC1CN(c2cc(F)c3c(n2)CCC(NC(=O)c2sc4nc(C)ccc4c2N)C3)CC1N
InChIInChI=1S/C26H33FN6O3S/c1-13-4-6-16-23(29)24(37-26(16)30-13)25(34)31-15-5-7-20-17(8-15)18(27)9-22(32-20)33-10-19(28)21(11-33)36-12-14(2)35-3/h4,6,9,14-15,19,21H,5,7-8,10-12,28-29H2,1-3H3,(H,31,34)
InChIKeyUAZKCYGIFHPXBX-UHFFFAOYSA-N
XLogP2.58
TPSA128.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.65
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-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-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 172540504) is 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is COC(C)COC1CN(c2cc(F)c3c(n2)CCC(NC(=O)c2sc4nc(C)ccc4c2N)C3)CC1N.
What is the InChIKey of 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UAZKCYGIFHPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O3S/c1-13-4-6-16-23(29)24(37-26(16)30-13)25(34)31-15-5-7-20-17(8-15)18(27)9-22(32-20)33-10-19(28)21(11-33)36-12-14(2)35-3/h4,6,9,14-15,19,21H,5,7-8,10-12,28-29H2,1-3H3,(H,31,34).
What are the key properties of 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 528.65 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172540504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).