N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide

C28H33F3N4O5 — CID 162583099

IUPACN-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide
SMILESO=C(CN1CCn2c(cc(C(F)(F)F)cc2=O)C1)N/C=C1/CN(C2CCOCC2)CC1OC1CCc2ccoc21
InChIInChI=1S/C28H33F3N4O5/c29-28(30,31)20-11-22-15-33(6-7-35(22)26(37)12-20)17-25(36)32-13-19-14-34(21-4-8-38-9-5-21)16-24(19)40-23-2-1-18-3-10-39-27(18)23/h3,10-13,21,23-24H,1-2,4-9,14-17H2,(H,32,36)/b19-13-
InChIKeyHLCIPAYGUWGKKZ-UYRXBGFRSA-N
MW562.59 g/mol
LogP2.84
Rot. Bonds6

About N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide

N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 162583099) has the molecular formula C28H33F3N4O5 and a molecular weight of 562.59 g/mol. Its IUPAC name is N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide
PubChem CID162583099
Molecular FormulaC28H33F3N4O5
Molecular Weight562.59 g/mol
Exact Mass562.24
IUPAC NameN-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide
SMILESO=C(CN1CCn2c(cc(C(F)(F)F)cc2=O)C1)N/C=C1/CN(C2CCOCC2)CC1OC1CCc2ccoc21
InChIInChI=1S/C28H33F3N4O5/c29-28(30,31)20-11-22-15-33(6-7-35(22)26(37)12-20)17-25(36)32-13-19-14-34(21-4-8-38-9-5-21)16-24(19)40-23-2-1-18-3-10-39-27(18)23/h3,10-13,21,23-24H,1-2,4-9,14-17H2,(H,32,36)/b19-13-
InChIKeyHLCIPAYGUWGKKZ-UYRXBGFRSA-N
XLogP2.84
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.59
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide (CID 162583099) is N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide is O=C(CN1CCn2c(cc(C(F)(F)F)cc2=O)C1)N/C=C1/CN(C2CCOCC2)CC1OC1CCc2ccoc21.
What is the InChIKey of N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is HLCIPAYGUWGKKZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C28H33F3N4O5/c29-28(30,31)20-11-22-15-33(6-7-35(22)26(37)12-20)17-25(36)32-13-19-14-34(21-4-8-38-9-5-21)16-24(19)40-23-2-1-18-3-10-39-27(18)23/h3,10-13,21,23-24H,1-2,4-9,14-17H2,(H,32,36)/b19-13-.
What are the key properties of N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide?
N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 562.59 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(5,6-dihydro-4H-cyclopenta[b]furan-6-yloxy)-1-(oxan-4-yl)pyrrolidin-3-ylidene]methyl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 162583099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).