7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H26FN7O3S — CID 172540162

IUPAC7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCO6)c(F)cc4C3)sc2n1
InChIInChI=1S/C23H26FN7O3S/c1-11-8-27-18-17(26)19(35-22(18)28-11)21(32)29-13-2-3-15-12(6-13)7-14(24)20(30-15)31-9-16(25)23(10-31)33-4-5-34-23/h7-8,13,16H,2-6,9-10,25-26H2,1H3,(H,29,32)
InChIKeySCMRXABLQULQRT-UHFFFAOYSA-N
MW499.57 g/mol
LogP1.29
Rot. Bonds3

About 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172540162) has the molecular formula C23H26FN7O3S and a molecular weight of 499.57 g/mol. Its IUPAC name is 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID172540162
Molecular FormulaC23H26FN7O3S
Molecular Weight499.57 g/mol
Exact Mass499.18
IUPAC Name7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCO6)c(F)cc4C3)sc2n1
InChIInChI=1S/C23H26FN7O3S/c1-11-8-27-18-17(26)19(35-22(18)28-11)21(32)29-13-2-3-15-12(6-13)7-14(24)20(30-15)31-9-16(25)23(10-31)33-4-5-34-23/h7-8,13,16H,2-6,9-10,25-26H2,1H3,(H,29,32)
InChIKeySCMRXABLQULQRT-UHFFFAOYSA-N
XLogP1.29
TPSA141.51 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-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-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540199
3-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540394
3-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172540430
5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172539757
7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172539836
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
6-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146349561
7-amino-N-[(2S)-7-fluoro-6-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 137488678
7-amino-N-[(2R)-7-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167655629
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
7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167598709
7-amino-N-[(2S)-7-fluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 147748801

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172540162) is 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-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-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-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)C6(C5)OCCO6)c(F)cc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is SCMRXABLQULQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O3S/c1-11-8-27-18-17(26)19(35-22(18)28-11)21(32)29-13-2-3-15-12(6-13)7-14(24)20(30-15)31-9-16(25)23(10-31)33-4-5-34-23/h7-8,13,16H,2-6,9-10,25-26H2,1H3,(H,29,32).
What are the key properties of 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172540162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).