(7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide

C24H28N6O3S — CID 121414413

IUPAC(7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCCN(CCOC)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4cc5ccnn5cc4OC)c23)C1
InChIInChI=1S/C24H28N6O3S/c1-4-29(9-10-32-2)24(31)15-5-6-17-20(11-15)34-23-21(17)22(25-14-26-23)28-18-12-16-7-8-27-30(16)13-19(18)33-3/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,25,26,28)/t15-/m0/s1
InChIKeySNWHKHIPEMMJFQ-HNNXBMFYSA-N
MW480.59 g/mol
LogP3.69
Rot. Bonds8

About (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide

(7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 121414413) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID121414413
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name(7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCCN(CCOC)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4cc5ccnn5cc4OC)c23)C1
InChIInChI=1S/C24H28N6O3S/c1-4-29(9-10-32-2)24(31)15-5-6-17-20(11-15)34-23-21(17)22(25-14-26-23)28-18-12-16-7-8-27-30(16)13-19(18)33-3/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,25,26,28)/t15-/m0/s1
InChIKeySNWHKHIPEMMJFQ-HNNXBMFYSA-N
XLogP3.69
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (CID 121414413) is (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is CCN(CCOC)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4cc5ccnn5cc4OC)c23)C1.
What is the InChIKey of (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is SNWHKHIPEMMJFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-4-29(9-10-32-2)24(31)15-5-6-17-20(11-15)34-23-21(17)22(25-14-26-23)28-18-12-16-7-8-27-30(16)13-19(18)33-3/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,25,26,28)/t15-/m0/s1.
What are the key properties of (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
(7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-ethyl-N-(2-methoxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 121414413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).