6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C27H29FN4O3 — CID 156653393

IUPAC6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)N[C@H](CCO)c4ccc(F)cc4)c(C(C)C)c3c(=O)[nH]2)cc1C
InChIInChI=1S/C27H29FN4O3/c1-15(2)23-24(26(34)29-21(11-12-33)18-7-9-20(28)10-8-18)31-32-14-22(30-27(35)25(23)32)19-6-5-16(3)17(4)13-19/h5-10,13-15,21,33H,11-12H2,1-4H3,(H,29,34)(H,30,35)/t21-/m1/s1
InChIKeyXDIWQPCXOKGGHD-OAQYLSRUSA-N
MW476.55 g/mol
LogP4.42
Rot. Bonds7

About 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 156653393) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID156653393
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC Name6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)N[C@H](CCO)c4ccc(F)cc4)c(C(C)C)c3c(=O)[nH]2)cc1C
InChIInChI=1S/C27H29FN4O3/c1-15(2)23-24(26(34)29-21(11-12-33)18-7-9-20(28)10-8-18)31-32-14-22(30-27(35)25(23)32)19-6-5-16(3)17(4)13-19/h5-10,13-15,21,33H,11-12H2,1-4H3,(H,29,34)(H,30,35)/t21-/m1/s1
InChIKeyXDIWQPCXOKGGHD-OAQYLSRUSA-N
XLogP4.42
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 156653393) is 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ccc(-c2cn3nc(C(=O)N[C@H](CCO)c4ccc(F)cc4)c(C(C)C)c3c(=O)[nH]2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is XDIWQPCXOKGGHD-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-15(2)23-24(26(34)29-21(11-12-33)18-7-9-20(28)10-8-18)31-32-14-22(30-27(35)25(23)32)19-6-5-16(3)17(4)13-19/h5-10,13-15,21,33H,11-12H2,1-4H3,(H,29,34)(H,30,35)/t21-/m1/s1.
What are the key properties of 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 156653393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).