(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide

C26H18F4N6O — CID 162687276

IUPAC(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
SMILESO=C(Nc1cc(-c2[nH]c3nccnc3c2-c2ccccn2)ccn1)[C@H](CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C26H18F4N6O/c27-17-6-4-15(5-7-17)18(14-26(28,29)30)25(37)35-20-13-16(8-10-32-20)22-21(19-3-1-2-9-31-19)23-24(36-22)34-12-11-33-23/h1-13,18H,14H2,(H,34,36)(H,32,35,37)/t18-/m1/s1
InChIKeyJMVMHKCLAGCPEL-GOSISDBHSA-N
MW506.46 g/mol
LogP5.90
Rot. Bonds6

About (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide

(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide (PubChem CID 162687276) has the molecular formula C26H18F4N6O and a molecular weight of 506.46 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
PubChem CID162687276
Molecular FormulaC26H18F4N6O
Molecular Weight506.46 g/mol
Exact Mass506.15
IUPAC Name(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
SMILESO=C(Nc1cc(-c2[nH]c3nccnc3c2-c2ccccn2)ccn1)[C@H](CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C26H18F4N6O/c27-17-6-4-15(5-7-17)18(14-26(28,29)30)25(37)35-20-13-16(8-10-32-20)22-21(19-3-1-2-9-31-19)23-24(36-22)34-12-11-33-23/h1-13,18H,14H2,(H,34,36)(H,32,35,37)/t18-/m1/s1
InChIKeyJMVMHKCLAGCPEL-GOSISDBHSA-N
XLogP5.90
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.46
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide with MolForge

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Related Compounds

4,4-difluoro-2-(4-fluorophenyl)-N-[4-(3-methyl-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687258
(2S)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(3-methyl-7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687406
(2S)-N-[4-[4-(2,2-difluoroethoxy)-7-pyridin-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]-2-pyridinyl]-4,4-difluoro-2-(4-fluorophenyl)butanamide
CID 162687293
(2R)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(6-methoxy-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]butanamide
CID 170425628
4,4-difluoro-N-[4-[5-fluoro-3-(4-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)butanamide
CID 162687462
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67242843
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
CID 22987997
(2R)-4,4-difluoro-N-[4-[5-fluoro-7-[(2R)-oxolan-2-yl]-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)butanamide
CID 162687333
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 67243289
2-(4-fluorophenyl)-3-oxo-3-[[4-(3-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 170305254
(2R)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]butanamide
CID 162687125
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 169116054

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide?
The IUPAC name of (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide (CID 162687276) is (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide is O=C(Nc1cc(-c2[nH]c3nccnc3c2-c2ccccn2)ccn1)[C@H](CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide?
The InChIKey is JMVMHKCLAGCPEL-GOSISDBHSA-N. The full InChI is InChI=1S/C26H18F4N6O/c27-17-6-4-15(5-7-17)18(14-26(28,29)30)25(37)35-20-13-16(8-10-32-20)22-21(19-3-1-2-9-31-19)23-24(36-22)34-12-11-33-23/h1-13,18H,14H2,(H,34,36)(H,32,35,37)/t18-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide?
(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide has a molecular weight of 506.46 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide is sourced from PubChem (CID 162687276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).