1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C27H30ClF2N5O2 — CID 10302000

IUPAC1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C27H30ClF2N5O2/c1-18(36)34-9-8-25-23(17-34)27(19-2-4-20(28)5-3-19)31-35(25)16-22(37)15-32-10-12-33(13-11-32)26-7-6-21(29)14-24(26)30/h2-7,14,22,37H,8-13,15-17H2,1H3
InChIKeyGVDIZTWXRGVMHP-UHFFFAOYSA-N
MW530.02 g/mol
LogP3.57
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10302000) has the molecular formula C27H30ClF2N5O2 and a molecular weight of 530.02 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID10302000
Molecular FormulaC27H30ClF2N5O2
Molecular Weight530.02 g/mol
Exact Mass529.21
IUPAC Name1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3ccc(F)cc3F)CC2)C1
InChIInChI=1S/C27H30ClF2N5O2/c1-18(36)34-9-8-25-23(17-34)27(19-2-4-20(28)5-3-19)31-35(25)16-22(37)15-32-10-12-33(13-11-32)26-7-6-21(29)14-24(26)30/h2-7,14,22,37H,8-13,15-17H2,1H3
InChIKeyGVDIZTWXRGVMHP-UHFFFAOYSA-N
XLogP3.57
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.02
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

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CID 10232786
CID 22293642
CID 22293642
CID 22293646
CID 22293646
CID 22293697
CID 22293697
CID 22293808
CID 22293808
CID 22293838
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CID 22293860
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CID 22293895

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10302000) is 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(c3ccc(F)cc3F)CC2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is GVDIZTWXRGVMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF2N5O2/c1-18(36)34-9-8-25-23(17-34)27(19-2-4-20(28)5-3-19)31-35(25)16-22(37)15-32-10-12-33(13-11-32)26-7-6-21(29)14-24(26)30/h2-7,14,22,37H,8-13,15-17H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 530.02 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10302000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).