N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C25H33N7O2S — CID 145101723

IUPACN-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCCN(C)C=O.COc1cn2nccc2cc1Nc1ncnc2sc3c(c12)CCCC3
InChIInChI=1S/C18H17N5OS.C7H16N2O/c1-24-14-9-23-11(6-7-21-23)8-13(14)22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17;1-8(2)5-4-6-9(3)7-10/h6-10H,2-5H2,1H3,(H,19,20,22);7H,4-6H2,1-3H3
InChIKeyJJKAFIABTSSOLM-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.00
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 145101723) has the molecular formula C25H33N7O2S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID145101723
Molecular FormulaC25H33N7O2S
Molecular Weight495.65 g/mol
Exact Mass495.24
IUPAC NameN-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCCN(C)C=O.COc1cn2nccc2cc1Nc1ncnc2sc3c(c12)CCCC3
InChIInChI=1S/C18H17N5OS.C7H16N2O/c1-24-14-9-23-11(6-7-21-23)8-13(14)22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17;1-8(2)5-4-6-9(3)7-10/h6-10H,2-5H2,1H3,(H,19,20,22);7H,4-6H2,1-3H3
InChIKeyJJKAFIABTSSOLM-UHFFFAOYSA-N
XLogP4.00
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 121429917
N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 145101746
(7S)-N-[2-(dimethylamino)ethyl]-N-ethyl-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414561
N-(6-chloropyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-(dimethylamino)piperidine-1-carbaldehyde
CID 145101743
(7S)-N-[2-(dimethylamino)-2-oxoethyl]-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414426
(7S)-N-(2-hydroxyethyl)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414399
(7S)-N-[(2S)-2-methoxypropyl]-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 121414562
N-[(2R)-2-methoxypropyl]-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 153281138
[(7S)-4-[(6-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 121414514
N-(2-hydroxyethyl)-N-methylformamide;2-methanimidoyl-5-methoxy-4-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 144847660
2-ethoxy-5-methanimidoyl-1-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine;N-methyl-N-propylformamide
CID 144847533
2-amino-4-ethyl-5-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzenethiol;N-ethyl-N-methylformamide
CID 144966918

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 145101723) is N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is CN(C)CCCN(C)C=O.COc1cn2nccc2cc1Nc1ncnc2sc3c(c12)CCCC3.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JJKAFIABTSSOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS.C7H16N2O/c1-24-14-9-23-11(6-7-21-23)8-13(14)22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17;1-8(2)5-4-6-9(3)7-10/h6-10H,2-5H2,1H3,(H,19,20,22);7H,4-6H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 495.65 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methylformamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 145101723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).