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

C23H28FN7O2S — CID 172540024

IUPAC7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCOCC1(F)CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1N
InChIInChI=1S/C23H28FN7O2S/c1-12-8-27-19-18(26)20(34-22(19)28-12)21(32)29-14-4-5-15-13(7-14)3-6-17(30-15)31-9-16(25)23(24,10-31)11-33-2/h3,6,8,14,16H,4-5,7,9-11,25-26H2,1-2H3,(H,29,32)
InChIKeyWYYVHJYZGIYMJJ-UHFFFAOYSA-N
MW485.59 g/mol
LogP1.77
Rot. Bonds5

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

7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172540024) has the molecular formula C23H28FN7O2S and a molecular weight of 485.59 g/mol. Its IUPAC name is 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID172540024
Molecular FormulaC23H28FN7O2S
Molecular Weight485.59 g/mol
Exact Mass485.20
IUPAC Name7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCOCC1(F)CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1N
InChIInChI=1S/C23H28FN7O2S/c1-12-8-27-19-18(26)20(34-22(19)28-12)21(32)29-14-4-5-15-13(7-14)3-6-17(30-15)31-9-16(25)23(24,10-31)11-33-2/h3,6,8,14,16H,4-5,7,9-11,25-26H2,1-2H3,(H,29,32)
InChIKeyWYYVHJYZGIYMJJ-UHFFFAOYSA-N
XLogP1.77
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172540024) is 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is COCC1(F)CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1N.
What is the InChIKey of 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is WYYVHJYZGIYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O2S/c1-12-8-27-19-18(26)20(34-22(19)28-12)21(32)29-14-4-5-15-13(7-14)3-6-17(30-15)31-9-16(25)23(24,10-31)11-33-2/h3,6,8,14,16H,4-5,7,9-11,25-26H2,1-2H3,(H,29,32).
What are the key properties of 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172540024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).