CID 174163407

C25H19F3N5O2Si — CID 174163407

IUPAC—
SMILESC[C@]1([Si])Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(C(F)(F)C2(F)CC2)cc1
InChIInChI=1S/C25H19F3N5O2Si/c1-23(36)14-32-20(19(13-30-32)21(34)31-17-4-2-3-15(11-17)12-29)22(35)33(23)18-7-5-16(6-8-18)25(27,28)24(26)9-10-24/h2-8,11,13H,9-10,14H2,1H3,(H,31,34)/t23-/m0/s1
InChIKeyXFRFYQKPYCWVQU-QHCPKHFHSA-N
MW506.54 g/mol
LogP4.15
Rot. Bonds5

About CID 174163407

CID 174163407 (PubChem CID 174163407) has the molecular formula C25H19F3N5O2Si and a molecular weight of 506.54 g/mol.

Molecular Properties

Compound NameCID 174163407
PubChem CID174163407
Molecular FormulaC25H19F3N5O2Si
Molecular Weight506.54 g/mol
Exact Mass506.13
IUPAC Name—
SMILESC[C@]1([Si])Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(C(F)(F)C2(F)CC2)cc1
InChIInChI=1S/C25H19F3N5O2Si/c1-23(36)14-32-20(19(13-30-32)21(34)31-17-4-2-3-15(11-17)12-29)22(35)33(23)18-7-5-16(6-8-18)25(27,28)24(26)9-10-24/h2-8,11,13H,9-10,14H2,1H3,(H,31,34)/t23-/m0/s1
InChIKeyXFRFYQKPYCWVQU-QHCPKHFHSA-N
XLogP4.15
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-5-[4-(1,1-difluoropropyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712893
N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174204390
N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174204932
(6S)-N-(3-cyanophenyl)-5-[4-[cyclobutyl(difluoro)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713139
(6S)-N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713154
N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712727
N-(3-cyanophenyl)-4-oxo-5-[4-[(2,2,3,3,3-pentafluoropropylamino)methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712779
(6S)-N-(3-cyanophenyl)-5-[4-[(2,2-difluorocyclopropyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713572
N-(3-cyanophenyl)-4-oxo-5-[4-[[5-(trifluoromethyl)thiophen-2-yl]methyl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713175
5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170712773
N-(3-cyanophenyl)-5-[4-[[3-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713181
N-(3-cyanophenyl)-5-[4-[[3-(2,2-dimethylpropyl)cyclobutyl]methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713527

Frequently Asked Questions

What is the IUPAC name of CID 174163407?
The IUPAC name of CID 174163407 (CID 174163407) is not available.
What is the SMILES notation for CID 174163407?
The canonical SMILES for CID 174163407 is C[C@]1([Si])Cn2ncc(C(=O)Nc3cccc(C#N)c3)c2C(=O)N1c1ccc(C(F)(F)C2(F)CC2)cc1.
What is the InChIKey of CID 174163407?
The InChIKey is XFRFYQKPYCWVQU-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H19F3N5O2Si/c1-23(36)14-32-20(19(13-30-32)21(34)31-17-4-2-3-15(11-17)12-29)22(35)33(23)18-7-5-16(6-8-18)25(27,28)24(26)9-10-24/h2-8,11,13H,9-10,14H2,1H3,(H,31,34)/t23-/m0/s1.
What are the key properties of CID 174163407?
CID 174163407 has a molecular weight of 506.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174163407 is sourced from PubChem (CID 174163407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).