[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C26H27FN6O — CID 26321669

IUPAC[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCc1cnc(-n2ncc(C(=O)N3CCn4cccc4[C@@H]3C)c2C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H27FN6O/c1-16(2)24-21(25(34)32-13-12-31-11-5-6-22(31)18(32)4)15-29-33(24)26-28-14-17(3)23(30-26)19-7-9-20(27)10-8-19/h5-11,14-16,18H,12-13H2,1-4H3/t18-/m0/s1
InChIKeyQOOPZPAQAJIYGO-SFHVURJKSA-N
MW458.54 g/mol
LogP4.92
Rot. Bonds4

About [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 26321669) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID26321669
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCc1cnc(-n2ncc(C(=O)N3CCn4cccc4[C@@H]3C)c2C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H27FN6O/c1-16(2)24-21(25(34)32-13-12-31-11-5-6-22(31)18(32)4)15-29-33(24)26-28-14-17(3)23(30-26)19-7-9-20(27)10-8-19/h5-11,14-16,18H,12-13H2,1-4H3/t18-/m0/s1
InChIKeyQOOPZPAQAJIYGO-SFHVURJKSA-N
XLogP4.92
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone 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-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]methanone
CID 45226908
ethyl 1-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 26326133
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 42168881
(1,5-dimethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47025599
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45166835
2-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 47165656
N-ethyl-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carboxamide
CID 26352902
(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 37446636
(E)-3-(4-fluorophenyl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]prop-2-en-1-one
CID 37451889
[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95774764

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 26321669) is [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is Cc1cnc(-n2ncc(C(=O)N3CCn4cccc4[C@@H]3C)c2C(C)C)nc1-c1ccc(F)cc1.
What is the InChIKey of [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is QOOPZPAQAJIYGO-SFHVURJKSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-16(2)24-21(25(34)32-13-12-31-11-5-6-22(31)18(32)4)15-29-33(24)26-28-14-17(3)23(30-26)19-7-9-20(27)10-8-19/h5-11,14-16,18H,12-13H2,1-4H3/t18-/m0/s1.
What are the key properties of [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 458.54 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 26321669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).