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

C24H28F2N6OS — CID 146349633

IUPAC3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C(C)(CF)C5)ccc4C3)c(N)c2cc1F
InChIInChI=1S/C24H28F2N6OS/c1-12-16(26)8-15-20(28)21(34-23(15)29-12)22(33)30-14-4-5-17-13(7-14)3-6-19(31-17)32-9-18(27)24(2,10-25)11-32/h3,6,8,14,18H,4-5,7,9-11,27-28H2,1-2H3,(H,30,33)
InChIKeyLWPWONWRHUPAQS-UHFFFAOYSA-N
MW486.59 g/mol
LogP3.13
Rot. Bonds4

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

3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 146349633) has the molecular formula C24H28F2N6OS and a molecular weight of 486.59 g/mol. Its IUPAC name is 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID146349633
Molecular FormulaC24H28F2N6OS
Molecular Weight486.59 g/mol
Exact Mass486.20
IUPAC Name3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C(C)(CF)C5)ccc4C3)c(N)c2cc1F
InChIInChI=1S/C24H28F2N6OS/c1-12-16(26)8-15-20(28)21(34-23(15)29-12)22(33)30-14-4-5-17-13(7-14)3-6-19(31-17)32-9-18(27)24(2,10-25)11-32/h3,6,8,14,18H,4-5,7,9-11,27-28H2,1-2H3,(H,30,33)
InChIKeyLWPWONWRHUPAQS-UHFFFAOYSA-N
XLogP3.13
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-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-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 146349633) is 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NC3CCc4nc(N5CC(N)C(C)(CF)C5)ccc4C3)c(N)c2cc1F.
What is the InChIKey of 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LWPWONWRHUPAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6OS/c1-12-16(26)8-15-20(28)21(34-23(15)29-12)22(33)30-14-4-5-17-13(7-14)3-6-19(31-17)32-9-18(27)24(2,10-25)11-32/h3,6,8,14,18H,4-5,7,9-11,27-28H2,1-2H3,(H,30,33).
What are the key properties of 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-amino-3-(fluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 146349633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).