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

C22H25F2N7OS — CID 146349599

IUPAC7-amino-N-[2-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CCC(N)C5C(F)F)ccc4C3)sc2n1
InChIInChI=1S/C22H25F2N7OS/c1-10-9-27-17-16(26)19(33-22(17)28-10)21(32)29-12-3-4-14-11(8-12)2-5-15(30-14)31-7-6-13(25)18(31)20(23)24/h2,5,9,12-13,18,20H,3-4,6-8,25-26H2,1H3,(H,29,32)
InChIKeyQXWPAFUNIFTJOV-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.44
Rot. Bonds4

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

7-amino-N-[2-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 146349599) has the molecular formula C22H25F2N7OS and a molecular weight of 473.55 g/mol. Its IUPAC name is 7-amino-N-[2-[3-amino-2-(difluoromethyl)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-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID146349599
Molecular FormulaC22H25F2N7OS
Molecular Weight473.55 g/mol
Exact Mass473.18
IUPAC Name7-amino-N-[2-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CCC(N)C5C(F)F)ccc4C3)sc2n1
InChIInChI=1S/C22H25F2N7OS/c1-10-9-27-17-16(26)19(33-22(17)28-10)21(32)29-12-3-4-14-11(8-12)2-5-15(30-14)31-7-6-13(25)18(31)20(23)24/h2,5,9,12-13,18,20H,3-4,6-8,25-26H2,1H3,(H,29,32)
InChIKeyQXWPAFUNIFTJOV-UHFFFAOYSA-N
XLogP2.44
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-N-[2-[3-amino-2-(difluoromethyl)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-[2-[3-amino-2-(difluoromethyl)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-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 146349599) is 7-amino-N-[2-[3-amino-2-(difluoromethyl)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-[3-amino-2-(difluoromethyl)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-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CCC(N)C5C(F)F)ccc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is QXWPAFUNIFTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7OS/c1-10-9-27-17-16(26)19(33-22(17)28-10)21(32)29-12-3-4-14-11(8-12)2-5-15(30-14)31-7-6-13(25)18(31)20(23)24/h2,5,9,12-13,18,20H,3-4,6-8,25-26H2,1H3,(H,29,32).
What are the key properties of 7-amino-N-[2-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 2.44, 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-[3-amino-2-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 146349599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).