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

C21H25N7OS — CID 142528405

IUPAC7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC[C@@H](N)C5)ccc4C3)sc2n1
InChIInChI=1S/C21H25N7OS/c1-11-9-24-18-17(23)19(30-21(18)25-11)20(29)26-14-3-4-15-12(8-14)2-5-16(27-15)28-7-6-13(22)10-28/h2,5,9,13-14H,3-4,6-8,10,22-23H2,1H3,(H,26,29)/t13-,14?/m1/s1
InChIKeyKVTSQFLQMKAFBX-KWCCSABGSA-N
MW423.55 g/mol
LogP1.80
Rot. Bonds3

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

7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 142528405) has the molecular formula C21H25N7OS and a molecular weight of 423.55 g/mol. Its IUPAC name is 7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID142528405
Molecular FormulaC21H25N7OS
Molecular Weight423.55 g/mol
Exact Mass423.18
IUPAC Name7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC[C@@H](N)C5)ccc4C3)sc2n1
InChIInChI=1S/C21H25N7OS/c1-11-9-24-18-17(23)19(30-21(18)25-11)20(29)26-14-3-4-15-12(8-14)2-5-16(27-15)28-7-6-13(22)10-28/h2,5,9,13-14H,3-4,6-8,10,22-23H2,1H3,(H,26,29)/t13-,14?/m1/s1
InChIKeyKVTSQFLQMKAFBX-KWCCSABGSA-N
XLogP1.80
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

7-amino-N-[(6S)-2-(3-azabicyclo[3.1.1]heptan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167553028
7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540180
3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224690
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492997
3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane
CID 153402334
3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480390
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480369
3-amino-N-[(6S)-2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489555
7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 137489689
3-amino-N-[2-[3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540042
7-amino-N-[(2R)-5-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167655631
7-amino-3-methyl-N-[(2S)-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 137489690

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[(3R)-3-aminopyrrolidin-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-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 142528405) is 7-amino-N-[2-[(3R)-3-aminopyrrolidin-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-[(3R)-3-aminopyrrolidin-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-[(3R)-3-aminopyrrolidin-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[C@@H](N)C5)ccc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is KVTSQFLQMKAFBX-KWCCSABGSA-N. The full InChI is InChI=1S/C21H25N7OS/c1-11-9-24-18-17(23)19(30-21(18)25-11)20(29)26-14-3-4-15-12(8-14)2-5-16(27-15)28-7-6-13(22)10-28/h2,5,9,13-14H,3-4,6-8,10,22-23H2,1H3,(H,26,29)/t13-,14?/m1/s1.
What are the key properties of 7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 423.55 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 142528405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).