N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C30H30FN5O3 — CID 146740684

About N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 146740684) has the molecular formula C30H30FN5O3 and a molecular weight of 527.60 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 146740684
• Molecular Formula: C30H30FN5O3
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.23
• IUPAC Name: N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: Cc1cccc2ncc(-c3cn4nc(C(=O)N[C@@H](c5ccc(F)cc5)C(C)(C)O)c(C(C)C)c4c(=O)[nH]3)cc12
• InChI: InChI=1S/C30H30FN5O3/c1-16(2)24-25(28(37)34-27(30(4,5)39)18-9-11-20(31)12-10-18)35-36-15-23(33-29(38)26(24)36)19-13-21-17(3)7-6-8-22(21)32-14-19/h6-16,27,39H,1-5H3,(H,33,38)(H,34,37)/t27-/m0/s1
• InChIKey: RKLVJAIBPWUWCQ-MHZLTWQESA-N
• XLogP: 5.05
• TPSA: 112.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.60
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 146740684) is N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cccc2ncc(-c3cn4nc(C(=O)N[C@@H](c5ccc(F)cc5)C(C)(C)O)c(C(C)C)c4c(=O)[nH]3)cc12.

What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is RKLVJAIBPWUWCQ-MHZLTWQESA-N. The full InChI is InChI=1S/C30H30FN5O3/c1-16(2)24-25(28(37)34-27(30(4,5)39)18-9-11-20(31)12-10-18)35-36-15-23(33-29(38)26(24)36)19-13-21-17(3)7-6-8-22(21)32-14-19/h6-16,27,39H,1-5H3,(H,33,38)(H,34,37)/t27-/m0/s1.

What are the key properties of N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 527.60 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146740684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).