(7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide

C24H29N7OS — CID 121414584

IUPAC(7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C)CCCN(C)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4ccn5nccc5c4)c23)C1
InChIInChI=1S/C24H29N7OS/c1-29(2)10-4-11-30(3)24(32)16-5-6-19-20(13-16)33-23-21(19)22(25-15-26-23)28-17-8-12-31-18(14-17)7-9-27-31/h7-9,12,14-16H,4-6,10-11,13H2,1-3H3,(H,25,26,28)/t16-/m0/s1
InChIKeyHBCFBKCEBSYYGX-INIZCTEOSA-N
MW463.61 g/mol
LogP3.60
Rot. Bonds7

About (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide

(7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 121414584) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID121414584
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC Name(7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C)CCCN(C)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4ccn5nccc5c4)c23)C1
InChIInChI=1S/C24H29N7OS/c1-29(2)10-4-11-30(3)24(32)16-5-6-19-20(13-16)33-23-21(19)22(25-15-26-23)28-17-8-12-31-18(14-17)7-9-27-31/h7-9,12,14-16H,4-6,10-11,13H2,1-3H3,(H,25,26,28)/t16-/m0/s1
InChIKeyHBCFBKCEBSYYGX-INIZCTEOSA-N
XLogP3.60
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-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)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide (CID 121414584) is (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is CN(C)CCCN(C)C(=O)[C@H]1CCc2c(sc3ncnc(Nc4ccn5nccc5c4)c23)C1.
What is the InChIKey of (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HBCFBKCEBSYYGX-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-29(2)10-4-11-30(3)24(32)16-5-6-19-20(13-16)33-23-21(19)22(25-15-26-23)28-17-8-12-31-18(14-17)7-9-27-31/h7-9,12,14-16H,4-6,10-11,13H2,1-3H3,(H,25,26,28)/t16-/m0/s1.
What are the key properties of (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide?
(7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[3-(dimethylamino)propyl]-N-methyl-4-(pyrazolo[1,5-a]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 121414584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).