2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol

C19H18N6OS — CID 133272549

IUPAC2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)cn1
InChIInChI=1S/C19H18N6OS/c26-8-7-25-11-13(10-21-25)22-18-16-14-4-1-5-15(14)27-19(16)24-17(23-18)12-3-2-6-20-9-12/h2-3,6,9-11,26H,1,4-5,7-8H2,(H,22,23,24)
InChIKeyFMFWXDIVHVYYCK-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.17
Rot. Bonds5

About 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol

2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 133272549) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol
PubChem CID133272549
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)cn1
InChIInChI=1S/C19H18N6OS/c26-8-7-25-11-13(10-21-25)22-18-16-14-4-1-5-15(14)27-19(16)24-17(23-18)12-3-2-6-20-9-12/h2-3,6,9-11,26H,1,4-5,7-8H2,(H,22,23,24)
InChIKeyFMFWXDIVHVYYCK-UHFFFAOYSA-N
XLogP3.17
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7922920
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7922988
N-(3-methylsulfanylpropyl)-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133304965
N-tert-butyl-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9279709
N-[(1,5-dimethylpyrazol-4-yl)methyl]-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133405693
N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166221777
N-tert-butyl-2-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]acetamide
CID 9024989
N-(2-methoxyethyl)-2-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]acetamide
CID 17414846
(2R)-N-propyl-2-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]propanamide
CID 40952476
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7963240
1-[3-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]propyl]azepan-2-one
CID 9110203
1,1,1-trifluoro-3-[(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 75414148

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol (CID 133272549) is 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol is OCCn1cc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)cn1.
What is the InChIKey of 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is FMFWXDIVHVYYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c26-8-7-25-11-13(10-21-25)22-18-16-14-4-1-5-15(14)27-19(16)24-17(23-18)12-3-2-6-20-9-12/h2-3,6,9-11,26H,1,4-5,7-8H2,(H,22,23,24).
What are the key properties of 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 378.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 133272549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).