4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine

C18H21N7OS — CID 146253383

IUPAC4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
SMILESCOC1CCN(c2nc3c(N)nc4cc(-c5ccn[nH]5)sc4c3n2C)CC1
InChIInChI=1S/C18H21N7OS/c1-24-15-14(22-18(24)25-7-4-10(26-2)5-8-25)17(19)21-12-9-13(27-16(12)15)11-3-6-20-23-11/h3,6,9-10H,4-5,7-8H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyOLJOZCOABLJHIO-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.77
Rot. Bonds3

About 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine

4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine (PubChem CID 146253383) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
PubChem CID146253383
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
SMILESCOC1CCN(c2nc3c(N)nc4cc(-c5ccn[nH]5)sc4c3n2C)CC1
InChIInChI=1S/C18H21N7OS/c1-24-15-14(22-18(24)25-7-4-10(26-2)5-8-25)17(19)21-12-9-13(27-16(12)15)11-3-6-20-23-11/h3,6,9-10H,4-5,7-8H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyOLJOZCOABLJHIO-UHFFFAOYSA-N
XLogP2.77
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine with MolForge

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Related Compounds

7-(3-methoxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 162784956
3-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 146243587
4-deuterio-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 175945649
7-(4,4-dimethylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 162784892
7-[(2R)-2-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 162785043
7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;hydrochloride
CID 162785059
7-N-(1-methoxypropan-2-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785025
1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
CID 154684721
7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785048
1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine
CID 146382096
2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
CID 166905459
1-[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]piperidin-3-ol;7-(4-cyclohexylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine;7-[(2R)-2-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 163636848

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine (CID 146253383) is 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine is COC1CCN(c2nc3c(N)nc4cc(-c5ccn[nH]5)sc4c3n2C)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine?
The InChIKey is OLJOZCOABLJHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-24-15-14(22-18(24)25-7-4-10(26-2)5-8-25)17(19)21-12-9-13(27-16(12)15)11-3-6-20-23-11/h3,6,9-10H,4-5,7-8H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine?
4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine has a molecular weight of 383.48 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine is sourced from PubChem (CID 146253383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).