5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

C19H17N5OS — CID 50980503

IUPAC5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCc1ccn2c3c(nc2c1)CNC(=O)CC3c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C19H17N5OS/c1-11-5-7-24-17(8-11)22-14-10-20-18(25)9-12(19(14)24)15-2-3-16(26-15)13-4-6-21-23-13/h2-8,12H,9-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyUXNJYLVXHXJLRD-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.25
Rot. Bonds2

About 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (PubChem CID 50980503) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.

Molecular Properties

Compound Name5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
PubChem CID50980503
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCc1ccn2c3c(nc2c1)CNC(=O)CC3c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C19H17N5OS/c1-11-5-7-24-17(8-11)22-14-10-20-18(25)9-12(19(14)24)15-2-3-16(26-15)13-4-6-21-23-13/h2-8,12H,9-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyUXNJYLVXHXJLRD-UHFFFAOYSA-N
XLogP3.25
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The IUPAC name of 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (CID 50980503) is 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.
What is the SMILES notation for 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The canonical SMILES for 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is Cc1ccn2c3c(nc2c1)CNC(=O)CC3c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The InChIKey is UXNJYLVXHXJLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-5-7-24-17(8-11)22-14-10-20-18(25)9-12(19(14)24)15-2-3-16(26-15)13-4-6-21-23-13/h2-8,12H,9-10H2,1H3,(H,20,25)(H,21,23).
What are the key properties of 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one has a molecular weight of 363.45 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-14-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is sourced from PubChem (CID 50980503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).