1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one

C25H27F4N5O2 — CID 73056928

IUPAC1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one
SMILESCc1cc(C(F)(F)F)nn1C(CC1CCOCC1)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C25H27F4N5O2/c1-16-13-23(25(27,28)29)31-33(16)21(14-17-8-11-36-12-9-17)24(35)32-10-2-3-20-22(32)15-30-34(20)19-6-4-18(26)5-7-19/h4-7,13,15,17,21H,2-3,8-12,14H2,1H3
InChIKeyJZMGXWNBUFHGCP-UHFFFAOYSA-N
MW505.52 g/mol
LogP4.87
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one

1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one (PubChem CID 73056928) has the molecular formula C25H27F4N5O2 and a molecular weight of 505.52 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one
PubChem CID73056928
Molecular FormulaC25H27F4N5O2
Molecular Weight505.52 g/mol
Exact Mass505.21
IUPAC Name1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one
SMILESCc1cc(C(F)(F)F)nn1C(CC1CCOCC1)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C25H27F4N5O2/c1-16-13-23(25(27,28)29)31-33(16)21(14-17-8-11-36-12-9-17)24(35)32-10-2-3-20-22(32)15-30-34(20)19-6-4-18(26)5-7-19/h4-7,13,15,17,21H,2-3,8-12,14H2,1H3
InChIKeyJZMGXWNBUFHGCP-UHFFFAOYSA-N
XLogP4.87
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one (CID 73056928) is 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one is Cc1cc(C(F)(F)F)nn1C(CC1CCOCC1)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one?
The InChIKey is JZMGXWNBUFHGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N5O2/c1-16-13-23(25(27,28)29)31-33(16)21(14-17-8-11-36-12-9-17)24(35)32-10-2-3-20-22(32)15-30-34(20)19-6-4-18(26)5-7-19/h4-7,13,15,17,21H,2-3,8-12,14H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one?
1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one has a molecular weight of 505.52 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 73056928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).