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

C24H30FN7O2S — CID 172539801

IUPAC7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(OC(C)C)C5)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H30FN7O2S/c1-11(2)34-18-10-32(9-16(18)26)19-7-15(25)14-6-13(4-5-17(14)31-19)30-23(33)22-20(27)21-24(35-22)29-12(3)8-28-21/h7-8,11,13,16,18H,4-6,9-10,26-27H2,1-3H3,(H,30,33)
InChIKeyGLNJOLXNGCXFTL-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.34
Rot. Bonds5

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

7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172539801) has the molecular formula C24H30FN7O2S and a molecular weight of 499.62 g/mol. Its IUPAC name is 7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID172539801
Molecular FormulaC24H30FN7O2S
Molecular Weight499.62 g/mol
Exact Mass499.22
IUPAC Name7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(OC(C)C)C5)cc(F)c4C3)sc2n1
InChIInChI=1S/C24H30FN7O2S/c1-11(2)34-18-10-32(9-16(18)26)19-7-15(25)14-6-13(4-5-17(14)31-19)30-23(33)22-20(27)21-24(35-22)29-12(3)8-28-21/h7-8,11,13,16,18H,4-6,9-10,26-27H2,1-3H3,(H,30,33)
InChIKeyGLNJOLXNGCXFTL-UHFFFAOYSA-N
XLogP2.34
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-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-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172539801) is 7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-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-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-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(OC(C)C)C5)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is GLNJOLXNGCXFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O2S/c1-11(2)34-18-10-32(9-16(18)26)19-7-15(25)14-6-13(4-5-17(14)31-19)30-23(33)22-20(27)21-24(35-22)29-12(3)8-28-21/h7-8,11,13,16,18H,4-6,9-10,26-27H2,1-3H3,(H,30,33).
What are the key properties of 7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 2.34, 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-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172539801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).