(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione

C44H39ClN10O10 — CID 157402217

IUPAC(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(N5CCNCC5)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H24N6O5.C20H15ClN4O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-26-20(17)29-8-6-25-7-9-29;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-22-16(13)21/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33);2-7H,8-9H2,1H3,(H2,23,24,27,28)/t24-;20-/m00/s1
InChIKeyBNHODRJDATYKHS-ZAJBSXPZSA-N
MW903.31 g/mol
LogP3.12
Rot. Bonds9

About (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione

(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 157402217) has the molecular formula C44H39ClN10O10 and a molecular weight of 903.31 g/mol. Its IUPAC name is (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID157402217
Molecular FormulaC44H39ClN10O10
Molecular Weight903.31 g/mol
Exact Mass902.25
IUPAC Name(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(N5CCNCC5)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H24N6O5.C20H15ClN4O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-26-20(17)29-8-6-25-7-9-29;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-22-16(13)21/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33);2-7H,8-9H2,1H3,(H2,23,24,27,28)/t24-;20-/m00/s1
InChIKeyBNHODRJDATYKHS-ZAJBSXPZSA-N
XLogP3.12
TPSA242.81 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.31
LogP ≤ 53.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (CID 157402217) is (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(N5CCNCC5)nccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is BNHODRJDATYKHS-ZAJBSXPZSA-N. The full InChI is InChI=1S/C24H24N6O5.C20H15ClN4O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-26-20(17)29-8-6-25-7-9-29;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-22-16(13)21/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33);2-7H,8-9H2,1H3,(H2,23,24,27,28)/t24-;20-/m00/s1.
What are the key properties of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 903.31 g/mol, XLogP of 3.12, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-piperazin-1-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 157402217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).