[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone

C34H33ClFN3O3 — CID 134296521

IUPAC[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone
SMILESCC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(c6ccc(Cl)cc6)CC5)CC4(C)C)oc23)CC1
InChIInChI=1S/C34H33ClFN3O3/c1-32(2)20-38(31(41)34(14-15-34)22-6-8-23(35)9-7-22)16-17-39(32)30(40)28-19-27-29(42-28)25(33(3)12-13-33)18-26(37-27)21-4-10-24(36)11-5-21/h4-11,18-19H,12-17,20H2,1-3H3
InChIKeySFQAXFSFPOBAGJ-UHFFFAOYSA-N
MW586.11 g/mol
LogP7.13
Rot. Bonds5

About [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone

[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone (PubChem CID 134296521) has the molecular formula C34H33ClFN3O3 and a molecular weight of 586.11 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone
PubChem CID134296521
Molecular FormulaC34H33ClFN3O3
Molecular Weight586.11 g/mol
Exact Mass585.22
IUPAC Name[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone
SMILESCC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(c6ccc(Cl)cc6)CC5)CC4(C)C)oc23)CC1
InChIInChI=1S/C34H33ClFN3O3/c1-32(2)20-38(31(41)34(14-15-34)22-6-8-23(35)9-7-22)16-17-39(32)30(40)28-19-27-29(42-28)25(33(3)12-13-33)18-26(37-27)21-4-10-24(36)11-5-21/h4-11,18-19H,12-17,20H2,1-3H3
InChIKeySFQAXFSFPOBAGJ-UHFFFAOYSA-N
XLogP7.13
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.11
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?
The IUPAC name of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone (CID 134296521) is [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone.
What is the SMILES notation for [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?
The canonical SMILES for [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone is CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCN(C(=O)C5(c6ccc(Cl)cc6)CC5)CC4(C)C)oc23)CC1.
What is the InChIKey of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?
The InChIKey is SFQAXFSFPOBAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClFN3O3/c1-32(2)20-38(31(41)34(14-15-34)22-6-8-23(35)9-7-22)16-17-39(32)30(40)28-19-27-29(42-28)25(33(3)12-13-33)18-26(37-27)21-4-10-24(36)11-5-21/h4-11,18-19H,12-17,20H2,1-3H3.
What are the key properties of [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone?
[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone has a molecular weight of 586.11 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)cyclopropanecarbonyl]-2,2-dimethylpiperazin-1-yl]-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone is sourced from PubChem (CID 134296521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).