7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one

C31H27F4N7O6 — CID 143989774

IUPAC7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)NC(O)NC1=O)C2
InChIInChI=1S/C31H27F4N7O6/c1-47-21-4-2-17-14-42(26(43)24(17)25(21)32)15-30(27(44)38-29(46)39-30)22-13-19-20(48-22)5-3-18(37-19)16-6-7-36-23(12-16)40-8-10-41(11-9-40)28(45)31(33,34)35/h2-7,12-13,29,39,46H,8-11,14-15H2,1H3,(H,38,44)/t29?,30-/m0/s1
InChIKeyLICMFJAGTFEIJH-ZSXSBBPPSA-N
MW669.59 g/mol
LogP2.10
Rot. Bonds6

About 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one

7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one (PubChem CID 143989774) has the molecular formula C31H27F4N7O6 and a molecular weight of 669.59 g/mol. Its IUPAC name is 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
PubChem CID143989774
Molecular FormulaC31H27F4N7O6
Molecular Weight669.59 g/mol
Exact Mass669.20
IUPAC Name7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)NC(O)NC1=O)C2
InChIInChI=1S/C31H27F4N7O6/c1-47-21-4-2-17-14-42(26(43)24(17)25(21)32)15-30(27(44)38-29(46)39-30)22-13-19-20(48-22)5-3-18(37-19)16-6-7-36-23(12-16)40-8-10-41(11-9-40)28(45)31(33,34)35/h2-7,12-13,29,39,46H,8-11,14-15H2,1H3,(H,38,44)/t29?,30-/m0/s1
InChIKeyLICMFJAGTFEIJH-ZSXSBBPPSA-N
XLogP2.10
TPSA153.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.59
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The IUPAC name of 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one (CID 143989774) is 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The canonical SMILES for 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)NC(O)NC1=O)C2.
What is the InChIKey of 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The InChIKey is LICMFJAGTFEIJH-ZSXSBBPPSA-N. The full InChI is InChI=1S/C31H27F4N7O6/c1-47-21-4-2-17-14-42(26(43)24(17)25(21)32)15-30(27(44)38-29(46)39-30)22-13-19-20(48-22)5-3-18(37-19)16-6-7-36-23(12-16)40-8-10-41(11-9-40)28(45)31(33,34)35/h2-7,12-13,29,39,46H,8-11,14-15H2,1H3,(H,38,44)/t29?,30-/m0/s1.
What are the key properties of 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one has a molecular weight of 669.59 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[[(4S)-2-hydroxy-5-oxo-4-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]imidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 143989774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).