11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

C21H24N8OS — CID 118543089

IUPAC11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
SMILESc1nc(Nc2cc3cn[nH]c3cn2)c2c3c(sc2n1)CN(CCN1CCOCC1)CC3
InChIInChI=1S/C21H24N8OS/c1-2-29(4-3-28-5-7-30-8-6-28)12-17-15(1)19-20(23-13-24-21(19)31-17)26-18-9-14-10-25-27-16(14)11-22-18/h9-11,13H,1-8,12H2,(H,25,27)(H,22,23,24,26)
InChIKeyQJRMELAOVVEPFJ-UHFFFAOYSA-N
MW436.55 g/mol
LogP2.40
Rot. Bonds5

About 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine (PubChem CID 118543089) has the molecular formula C21H24N8OS and a molecular weight of 436.55 g/mol. Its IUPAC name is 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.

Molecular Properties

Compound Name11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
PubChem CID118543089
Molecular FormulaC21H24N8OS
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
SMILESc1nc(Nc2cc3cn[nH]c3cn2)c2c3c(sc2n1)CN(CCN1CCOCC1)CC3
InChIInChI=1S/C21H24N8OS/c1-2-29(4-3-28-5-7-30-8-6-28)12-17-15(1)19-20(23-13-24-21(19)31-17)26-18-9-14-10-25-27-16(14)11-22-18/h9-11,13H,1-8,12H2,(H,25,27)(H,22,23,24,26)
InChIKeyQJRMELAOVVEPFJ-UHFFFAOYSA-N
XLogP2.40
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine with MolForge

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Related Compounds

2-methanimidoyl-4-N-[11-(2-morpholin-4-ylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]benzene-1,4-diamine
CID 144966810
4-[2-(3-chloro-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-11-yl)ethyl]morpholine;N-(1H-isoindol-5-yl)-11-(2-morpholin-4-ylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 160921786
N,N-bis(2-methoxyethyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 140720830
[4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 121408476
[(3R)-3-methylmorpholin-4-yl]-[(7S)-4-[(6-methylsulfanyl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 118095925
(1-methylpiperidin-4-yl)-[3-[(6-methylsulfanyl-1H-indazol-5-yl)amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]methanone
CID 118543105
3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide
CID 118553285
(7S)-N-(6-methoxy-1H-indazol-5-yl)-7-(methoxymethyl)-7-methyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 144675944
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 72694937
6-[[11-[2-(2-hydroxyethylamino)ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]-3H-1,3-benzothiazol-2-one
CID 123985202
2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 87057342
N-(3-bromophenyl)-7-[2-(2-morpholin-4-ylethylamino)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 58774559

Frequently Asked Questions

What is the IUPAC name of 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine?
The IUPAC name of 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine (CID 118543089) is 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
What is the SMILES notation for 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine?
The canonical SMILES for 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine is c1nc(Nc2cc3cn[nH]c3cn2)c2c3c(sc2n1)CN(CCN1CCOCC1)CC3.
What is the InChIKey of 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine?
The InChIKey is QJRMELAOVVEPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8OS/c1-2-29(4-3-28-5-7-30-8-6-28)12-17-15(1)19-20(23-13-24-21(19)31-17)26-18-9-14-10-25-27-16(14)11-22-18/h9-11,13H,1-8,12H2,(H,25,27)(H,22,23,24,26).
What are the key properties of 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine?
11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine has a molecular weight of 436.55 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-morpholin-4-ylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine is sourced from PubChem (CID 118543089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).