10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

C24H21F3N6S — CID 26454123

IUPAC10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
SMILESFC(F)(F)c1ccc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CC2)nc1
InChIInChI=1S/C24H21F3N6S/c25-24(26,27)16-6-7-19(29-14-16)32-9-11-33(12-10-32)22-20-17-4-1-5-18(17)34-23(20)31-21(30-22)15-3-2-8-28-13-15/h2-3,6-8,13-14H,1,4-5,9-12H2
InChIKeyWCJISICVHMLNGQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.98
Rot. Bonds3

About 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (PubChem CID 26454123) has the molecular formula C24H21F3N6S and a molecular weight of 482.54 g/mol. Its IUPAC name is 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.

Molecular Properties

Compound Name10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
PubChem CID26454123
Molecular FormulaC24H21F3N6S
Molecular Weight482.54 g/mol
Exact Mass482.15
IUPAC Name10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
SMILESFC(F)(F)c1ccc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CC2)nc1
InChIInChI=1S/C24H21F3N6S/c25-24(26,27)16-6-7-19(29-14-16)32-9-11-33(12-10-32)22-20-17-4-1-5-18(17)34-23(20)31-21(30-22)15-3-2-8-28-13-15/h2-3,6-8,13-14H,1,4-5,9-12H2
InChIKeyWCJISICVHMLNGQ-UHFFFAOYSA-N
XLogP4.98
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The IUPAC name of 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (CID 26454123) is 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.
What is the SMILES notation for 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The canonical SMILES for 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is FC(F)(F)c1ccc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CC2)nc1.
What is the InChIKey of 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The InChIKey is WCJISICVHMLNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6S/c25-24(26,27)16-6-7-19(29-14-16)32-9-11-33(12-10-32)22-20-17-4-1-5-18(17)34-23(20)31-21(30-22)15-3-2-8-28-13-15/h2-3,6-8,13-14H,1,4-5,9-12H2.
What are the key properties of 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene has a molecular weight of 482.54 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyridin-3-yl-12-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is sourced from PubChem (CID 26454123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).