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

C23H28FN7OS — CID 146349526

IUPAC7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(C)(CF)C5)ccc4C3)sc2n1
InChIInChI=1S/C23H28FN7OS/c1-12-8-27-19-18(26)20(33-22(19)28-12)21(32)29-14-4-5-15-13(7-14)3-6-17(30-15)31-9-16(25)23(2,10-24)11-31/h3,6,8,14,16H,4-5,7,9-11,25-26H2,1-2H3,(H,29,32)
InChIKeyCPVVFMBBWUMJIZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.39
Rot. Bonds4

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

7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 146349526) has the molecular formula C23H28FN7OS and a molecular weight of 469.59 g/mol. Its IUPAC name is 7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-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-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID146349526
Molecular FormulaC23H28FN7OS
Molecular Weight469.59 g/mol
Exact Mass469.21
IUPAC Name7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(C)(CF)C5)ccc4C3)sc2n1
InChIInChI=1S/C23H28FN7OS/c1-12-8-27-19-18(26)20(33-22(19)28-12)21(32)29-14-4-5-15-13(7-14)3-6-17(30-15)31-9-16(25)23(2,10-24)11-31/h3,6,8,14,16H,4-5,7,9-11,25-26H2,1-2H3,(H,29,32)
InChIKeyCPVVFMBBWUMJIZ-UHFFFAOYSA-N
XLogP2.39
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-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-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 146349526) is 7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-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-(fluoromethyl)-3-methylpyrrolidin-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-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(C)(CF)C5)ccc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is CPVVFMBBWUMJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7OS/c1-12-8-27-19-18(26)20(33-22(19)28-12)21(32)29-14-4-5-15-13(7-14)3-6-17(30-15)31-9-16(25)23(2,10-24)11-31/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-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 146349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).