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

C24H28ClN7OS — CID 121414394

IUPAC(7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCCN(CCN(C)C)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4cc5ccnn5cc4Cl)c23)C1
InChIInChI=1S/C24H28ClN7OS/c1-4-31(10-9-30(2)3)24(33)15-5-6-17-20(11-15)34-23-21(17)22(26-14-27-23)29-19-12-16-7-8-28-32(16)13-18(19)25/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,26,27,29)/t15-/m0/s1
InChIKeyOLRGNYASSOIUDB-HNNXBMFYSA-N
MW498.06 g/mol
LogP4.25
Rot. Bonds7

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

(7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 121414394) has the molecular formula C24H28ClN7OS and a molecular weight of 498.06 g/mol. Its IUPAC name is (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID121414394
Molecular FormulaC24H28ClN7OS
Molecular Weight498.06 g/mol
Exact Mass497.18
IUPAC Name(7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCCN(CCN(C)C)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4cc5ccnn5cc4Cl)c23)C1
InChIInChI=1S/C24H28ClN7OS/c1-4-31(10-9-30(2)3)24(33)15-5-6-17-20(11-15)34-23-21(17)22(26-14-27-23)29-19-12-16-7-8-28-32(16)13-18(19)25/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,26,27,29)/t15-/m0/s1
InChIKeyOLRGNYASSOIUDB-HNNXBMFYSA-N
XLogP4.25
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.06
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (CID 121414394) is (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is CCN(CCN(C)C)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4cc5ccnn5cc4Cl)c23)C1.
What is the InChIKey of (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is OLRGNYASSOIUDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28ClN7OS/c1-4-31(10-9-30(2)3)24(33)15-5-6-17-20(11-15)34-23-21(17)22(26-14-27-23)29-19-12-16-7-8-28-32(16)13-18(19)25/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,26,27,29)/t15-/m0/s1.
What are the key properties of (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
(7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 498.06 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-[(6-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[2-(dimethylamino)ethyl]-N-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 121414394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).