2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C24H21FN8O3 — CID 137049668

IUPAC2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3ncc(-c4ccccc4F)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C24H21FN8O3/c1-15-17(13-27-33(15)23-28-21(34)19-7-4-8-32(19)29-23)22(35)30-9-11-31(12-10-30)24-26-14-20(36-24)16-5-2-3-6-18(16)25/h2-8,13-14H,9-12H2,1H3,(H,28,29,34)
InChIKeyWJQNKQNCCCPTLN-UHFFFAOYSA-N
MW488.48 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049668) has the molecular formula C24H21FN8O3 and a molecular weight of 488.48 g/mol. Its IUPAC name is 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049668
Molecular FormulaC24H21FN8O3
Molecular Weight488.48 g/mol
Exact Mass488.17
IUPAC Name2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(c3ncc(-c4ccccc4F)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C24H21FN8O3/c1-15-17(13-27-33(15)23-28-21(34)19-7-4-8-32(19)29-23)22(35)30-9-11-31(12-10-30)24-26-14-20(36-24)16-5-2-3-6-18(16)25/h2-8,13-14H,9-12H2,1H3,(H,28,29,34)
InChIKeyWJQNKQNCCCPTLN-UHFFFAOYSA-N
XLogP2.27
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049668) is 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCN(c3ncc(-c4ccccc4F)o3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is WJQNKQNCCCPTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O3/c1-15-17(13-27-33(15)23-28-21(34)19-7-4-8-32(19)29-23)22(35)30-9-11-31(12-10-30)24-26-14-20(36-24)16-5-2-3-6-18(16)25/h2-8,13-14H,9-12H2,1H3,(H,28,29,34).
What are the key properties of 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 488.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).