4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole

C24H23F2N7O — CID 159258854

IUPAC4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn([C@@H](C)c3ccccn3)c2n1
InChIInChI=1S/C24H23F2N7O/c1-14-21(16(3)34-31-14)20-10-28-22-18(17-9-29-32(11-17)13-24(4,25)26)12-33(23(22)30-20)15(2)19-7-5-6-8-27-19/h5-12,15H,13H2,1-4H3/t15-/m0/s1
InChIKeyQYVOXKTUXDRXTL-HNNXBMFYSA-N
MW463.49 g/mol
LogP5.23
Rot. Bonds6

About 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole

4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159258854) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID159258854
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn([C@@H](C)c3ccccn3)c2n1
InChIInChI=1S/C24H23F2N7O/c1-14-21(16(3)34-31-14)20-10-28-22-18(17-9-29-32(11-17)13-24(4,25)26)12-33(23(22)30-20)15(2)19-7-5-6-8-27-19/h5-12,15H,13H2,1-4H3/t15-/m0/s1
InChIKeyQYVOXKTUXDRXTL-HNNXBMFYSA-N
XLogP5.23
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
3-((4-(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)-6-bromo-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CID 46868087
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706470
3,5-Dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole
CID 74767042
5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334971
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334974
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334976
5-[(5-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334979
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334980
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684455
N-(6-(1-(1-(3,5-dimethylisoxazole-4-carbonyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538867
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(5-methylisoxazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538877

Frequently Asked Questions

What is the IUPAC name of 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole (CID 159258854) is 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn([C@@H](C)c3ccccn3)c2n1.
What is the InChIKey of 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is QYVOXKTUXDRXTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-14-21(16(3)34-31-14)20-10-28-22-18(17-9-29-32(11-17)13-24(4,25)26)12-33(23(22)30-20)15(2)19-7-5-6-8-27-19/h5-12,15H,13H2,1-4H3/t15-/m0/s1.
What are the key properties of 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole?
4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 463.49 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159258854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).