2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C23H19F3N10O3 — CID 137049600

IUPAC2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3nnc(-c4ccc(C(F)(F)F)cn4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C23H19F3N10O3/c1-13-15(12-28-36(13)21-29-18(37)17-3-2-6-35(17)32-21)20(38)33-7-9-34(10-8-33)22-31-30-19(39-22)16-5-4-14(11-27-16)23(24,25)26/h2-6,11-12H,7-10H2,1H3,(H,29,32,37)
InChIKeyBBFGVRCUSPPIPQ-UHFFFAOYSA-N
MW540.47 g/mol
LogP1.94
Rot. Bonds4

About 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049600) has the molecular formula C23H19F3N10O3 and a molecular weight of 540.47 g/mol. Its IUPAC name is 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049600
Molecular FormulaC23H19F3N10O3
Molecular Weight540.47 g/mol
Exact Mass540.16
IUPAC Name2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3nnc(-c4ccc(C(F)(F)F)cn4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C23H19F3N10O3/c1-13-15(12-28-36(13)21-29-18(37)17-3-2-6-35(17)32-21)20(38)33-7-9-34(10-8-33)22-31-30-19(39-22)16-5-4-14(11-27-16)23(24,25)26/h2-6,11-12H,7-10H2,1H3,(H,29,32,37)
InChIKeyBBFGVRCUSPPIPQ-UHFFFAOYSA-N
XLogP1.94
TPSA143.34 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049600) is 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCN(c3nnc(-c4ccc(C(F)(F)F)cn4)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is BBFGVRCUSPPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N10O3/c1-13-15(12-28-36(13)21-29-18(37)17-3-2-6-35(17)32-21)20(38)33-7-9-34(10-8-33)22-31-30-19(39-22)16-5-4-14(11-27-16)23(24,25)26/h2-6,11-12H,7-10H2,1H3,(H,29,32,37).
What are the key properties of 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 540.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-[4-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).