7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol

C22H25N5OS — CID 123624939

IUPAC7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol
SMILESCc1nc2ccc(C3=CC(O)N4C=C(N5CCC(N(C)C)C5)C=CC4=N3)cc2s1
InChIInChI=1S/C22H25N5OS/c1-14-23-18-6-4-15(10-20(18)29-14)19-11-22(28)27-13-17(5-7-21(27)24-19)26-9-8-16(12-26)25(2)3/h4-7,10-11,13,16,22,28H,8-9,12H2,1-3H3
InChIKeyRSCKWWGSEUKZBO-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.03
Rot. Bonds3

About 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol

7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol (PubChem CID 123624939) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol.

Molecular Properties

Compound Name7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol
PubChem CID123624939
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol
SMILESCc1nc2ccc(C3=CC(O)N4C=C(N5CCC(N(C)C)C5)C=CC4=N3)cc2s1
InChIInChI=1S/C22H25N5OS/c1-14-23-18-6-4-15(10-20(18)29-14)19-11-22(28)27-13-17(5-7-21(27)24-19)26-9-8-16(12-26)25(2)3/h4-7,10-11,13,16,22,28H,8-9,12H2,1-3H3
InChIKeyRSCKWWGSEUKZBO-UHFFFAOYSA-N
XLogP3.03
TPSA55.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
9-methyl-3-(5-methylazonan-1-yl)-8-(2-methyl-1,3-benzothiazol-6-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123526991
1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]-4-oxo-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylic acid
CID 142441565
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
9-methyl-8-(2-methyl-1,3-benzothiazol-6-yl)-3-(1-methylpiperidin-4-yl)-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123971936
1-cyclohexyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 126775273
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole
CID 153383075
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875383
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68574706
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol?
The IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol (CID 123624939) is 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol.
What is the SMILES notation for 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol?
The canonical SMILES for 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol is Cc1nc2ccc(C3=CC(O)N4C=C(N5CCC(N(C)C)C5)C=CC4=N3)cc2s1.
What is the InChIKey of 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol?
The InChIKey is RSCKWWGSEUKZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-14-23-18-6-4-15(10-20(18)29-14)19-11-22(28)27-13-17(5-7-21(27)24-19)26-9-8-16(12-26)25(2)3/h4-7,10-11,13,16,22,28H,8-9,12H2,1-3H3.
What are the key properties of 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol?
7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol has a molecular weight of 407.54 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methyl-1,3-benzothiazol-6-yl)-4H-pyrido[1,2-a]pyrimidin-4-ol is sourced from PubChem (CID 123624939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).