5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C22H26FN7OS — CID 172539755

IUPAC5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C22H26FN7OS/c1-11-18-19(24)20(32-22(18)27-12(2)26-11)21(31)28-13-3-4-16-14(9-13)15(23)10-17(29-16)30-7-5-25-6-8-30/h10,13,25H,3-9,24H2,1-2H3,(H,28,31)
InChIKeyMOMKMLUTBWJBJC-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.12
Rot. Bonds3

About 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172539755) has the molecular formula C22H26FN7OS and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID172539755
Molecular FormulaC22H26FN7OS
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CCNCC5)cc(F)c4C3)sc2n1
InChIInChI=1S/C22H26FN7OS/c1-11-18-19(24)20(32-22(18)27-12(2)26-11)21(31)28-13-3-4-16-14(9-13)15(23)10-17(29-16)30-7-5-25-6-8-30/h10,13,25H,3-9,24H2,1-2H3,(H,28,31)
InChIKeyMOMKMLUTBWJBJC-UHFFFAOYSA-N
XLogP2.12
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172539755) is 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CCNCC5)cc(F)c4C3)sc2n1.
What is the InChIKey of 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MOMKMLUTBWJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7OS/c1-11-18-19(24)20(32-22(18)27-12(2)26-11)21(31)28-13-3-4-16-14(9-13)15(23)10-17(29-16)30-7-5-25-6-8-30/h10,13,25H,3-9,24H2,1-2H3,(H,28,31).
What are the key properties of 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl)-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172539755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).