6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C26H22ClF3N4O3 — CID 152655707

IUPAC6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(F)(F)CO)c(C4CC4)c3c(=O)[nH]2)ccc1Cl
InChIInChI=1S/C26H22ClF3N4O3/c1-13-10-16(6-9-18(13)27)19-11-34-22(25(37)31-19)20(14-2-3-14)21(33-34)24(36)32-23(26(29,30)12-35)15-4-7-17(28)8-5-15/h4-11,14,23,35H,2-3,12H2,1H3,(H,31,37)(H,32,36)/t23-/m0/s1
InChIKeyZIMHDPQPXFNHKM-QHCPKHFHSA-N
MW530.93 g/mol
LogP4.77
Rot. Bonds7

About 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 152655707) has the molecular formula C26H22ClF3N4O3 and a molecular weight of 530.93 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID152655707
Molecular FormulaC26H22ClF3N4O3
Molecular Weight530.93 g/mol
Exact Mass530.13
IUPAC Name6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(F)(F)CO)c(C4CC4)c3c(=O)[nH]2)ccc1Cl
InChIInChI=1S/C26H22ClF3N4O3/c1-13-10-16(6-9-18(13)27)19-11-34-22(25(37)31-19)20(14-2-3-14)21(33-34)24(36)32-23(26(29,30)12-35)15-4-7-17(28)8-5-15/h4-11,14,23,35H,2-3,12H2,1H3,(H,31,37)(H,32,36)/t23-/m0/s1
InChIKeyZIMHDPQPXFNHKM-QHCPKHFHSA-N
XLogP4.77
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.93
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 152655707) is 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cc(-c2cn3nc(C(=O)N[C@@H](c4ccc(F)cc4)C(F)(F)CO)c(C4CC4)c3c(=O)[nH]2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ZIMHDPQPXFNHKM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H22ClF3N4O3/c1-13-10-16(6-9-18(13)27)19-11-34-22(25(37)31-19)20(14-2-3-14)21(33-34)24(36)32-23(26(29,30)12-35)15-4-7-17(28)8-5-15/h4-11,14,23,35H,2-3,12H2,1H3,(H,31,37)(H,32,36)/t23-/m0/s1.
What are the key properties of 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 530.93 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylphenyl)-3-cyclopropyl-N-[(1S)-2,2-difluoro-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 152655707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).