3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C26H32F2N6O2S — CID 172539809

IUPAC3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCC(F)(F)C1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)CC1N
InChIInChI=1S/C26H32F2N6O2S/c1-13-8-14(2)31-25-21(13)22(30)23(37-25)24(35)32-16-5-6-19-15(9-16)4-7-20(33-19)34-10-17(18(29)11-34)26(27,28)12-36-3/h4,7-8,16-18H,5-6,9-12,29-30H2,1-3H3,(H,32,35)
InChIKeyLMYMAEYYOCGVKW-UHFFFAOYSA-N
MW530.65 g/mol
LogP3.22
Rot. Bonds6

About 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 172539809) has the molecular formula C26H32F2N6O2S and a molecular weight of 530.65 g/mol. Its IUPAC name is 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID172539809
Molecular FormulaC26H32F2N6O2S
Molecular Weight530.65 g/mol
Exact Mass530.23
IUPAC Name3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCC(F)(F)C1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)CC1N
InChIInChI=1S/C26H32F2N6O2S/c1-13-8-14(2)31-25-21(13)22(30)23(37-25)24(35)32-16-5-6-19-15(9-16)4-7-20(33-19)34-10-17(18(29)11-34)26(27,28)12-36-3/h4,7-8,16-18H,5-6,9-12,29-30H2,1-3H3,(H,32,35)
InChIKeyLMYMAEYYOCGVKW-UHFFFAOYSA-N
XLogP3.22
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172539761
3-amino-N-[2-[3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540042
3-amino-N-[2-[3-(1,1-difluoro-2-methoxyethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172540125
3-amino-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540274
5-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172540434
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480369
3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480390
6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146348723
7-amino-N-[(6S)-2-(3-azabicyclo[3.1.1]heptan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167553028
3-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540040
5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172539870
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492997

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 172539809) is 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is COCC(F)(F)C1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)CC1N.
What is the InChIKey of 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LMYMAEYYOCGVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O2S/c1-13-8-14(2)31-25-21(13)22(30)23(37-25)24(35)32-16-5-6-19-15(9-16)4-7-20(33-19)34-10-17(18(29)11-34)26(27,28)12-36-3/h4,7-8,16-18H,5-6,9-12,29-30H2,1-3H3,(H,32,35).
What are the key properties of 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172539809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).