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

C23H23FN6O3 — CID 137049434

IUPAC2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C23H23FN6O3/c1-15-19(13-25-30(15)23-26-21(31)20-3-2-10-29(20)27-23)22(32)28-11-8-18(9-12-28)33-14-16-4-6-17(24)7-5-16/h2-7,10,13,18H,8-9,11-12,14H2,1H3,(H,26,27,31)
InChIKeyIEPQGCDWHMPCQT-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.48
Rot. Bonds5

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

2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049434) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049434
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C23H23FN6O3/c1-15-19(13-25-30(15)23-26-21(31)20-3-2-10-29(20)27-23)22(32)28-11-8-18(9-12-28)33-14-16-4-6-17(24)7-5-16/h2-7,10,13,18H,8-9,11-12,14H2,1H3,(H,26,27,31)
InChIKeyIEPQGCDWHMPCQT-UHFFFAOYSA-N
XLogP2.48
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049067
2-[4-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049068
2-[5-methyl-4-[4-(2,2,2-trifluoroethoxy)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049079
2-[4-[3-(3,4-difluorophenyl)azetidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049307
2-[5-methyl-4-(4-phenylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049356
2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049502
2-[5-methyl-4-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049523
2-[4-[4-(2-fluoro-3-pyridinyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049555
2-[4-[4-(cyclopropanecarbonyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049596
2-[4-[4-(6-fluoro-2-pyridinyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049603
2-[5-methyl-4-[4-(1,1,1,4-tetrafluorobutan-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049617
2-[5-methyl-4-[9-(2,2,2-trifluoroethylidene)-3-azabicyclo[3.3.1]nonane-3-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049635

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049434) is 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-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-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is IEPQGCDWHMPCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-15-19(13-25-30(15)23-26-21(31)20-3-2-10-29(20)27-23)22(32)28-11-8-18(9-12-28)33-14-16-4-6-17(24)7-5-16/h2-7,10,13,18H,8-9,11-12,14H2,1H3,(H,26,27,31).
What are the key properties of 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 450.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-fluorophenyl)methoxy]piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).