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

C24H30FN7O2S — CID 172539881

IUPAC7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)cnc4c2N)CC3)CC1COC
InChIInChI=1S/C24H30FN7O2S/c1-12-8-28-20-19(26)21(35-24(20)29-12)23(33)30-15-4-5-17-13(6-15)7-16(25)22(31-17)32-9-14(11-34-3)18(10-32)27-2/h7-8,14-15,18,27H,4-6,9-11,26H2,1-3H3,(H,30,33)
InChIKeyDAZTZQVRLOMOBL-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.07
Rot. Bonds6

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

7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172539881) has the molecular formula C24H30FN7O2S and a molecular weight of 499.62 g/mol. Its IUPAC name is 7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID172539881
Molecular FormulaC24H30FN7O2S
Molecular Weight499.62 g/mol
Exact Mass499.22
IUPAC Name7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)cnc4c2N)CC3)CC1COC
InChIInChI=1S/C24H30FN7O2S/c1-12-8-28-20-19(26)21(35-24(20)29-12)23(33)30-15-4-5-17-13(6-15)7-16(25)22(31-17)32-9-14(11-34-3)18(10-32)27-2/h7-8,14-15,18,27H,4-6,9-11,26H2,1-3H3,(H,30,33)
InChIKeyDAZTZQVRLOMOBL-UHFFFAOYSA-N
XLogP2.07
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-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-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)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-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172539881) is 7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)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-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)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-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is CNC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)cnc4c2N)CC3)CC1COC.
What is the InChIKey of 7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is DAZTZQVRLOMOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O2S/c1-12-8-28-20-19(26)21(35-24(20)29-12)23(33)30-15-4-5-17-13(6-15)7-16(25)22(31-17)32-9-14(11-34-3)18(10-32)27-2/h7-8,14-15,18,27H,4-6,9-11,26H2,1-3H3,(H,30,33).
What are the key properties of 7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-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 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172539881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).