N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide

C24H22N6O5 — CID 88582265

IUPACN-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@](C)(NC(=O)NC=O)c1cc3nc(-n4ccnc4)ccc3o1)C2
InChIInChI=1S/C24H22N6O5/c1-24(28-23(33)26-14-31,12-30-11-15-3-4-16(34-2)9-17(15)22(30)32)20-10-18-19(35-20)5-6-21(27-18)29-8-7-25-13-29/h3-10,13-14H,11-12H2,1-2H3,(H2,26,28,31,33)/t24-/m0/s1
InChIKeyFDQYJTWRNHLBSC-DEOSSOPVSA-N
MW474.48 g/mol
LogP2.35
Rot. Bonds7

About N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide

N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide (PubChem CID 88582265) has the molecular formula C24H22N6O5 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide.

Molecular Properties

Compound NameN-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide
PubChem CID88582265
Molecular FormulaC24H22N6O5
Molecular Weight474.48 g/mol
Exact Mass474.17
IUPAC NameN-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@](C)(NC(=O)NC=O)c1cc3nc(-n4ccnc4)ccc3o1)C2
InChIInChI=1S/C24H22N6O5/c1-24(28-23(33)26-14-31,12-30-11-15-3-4-16(34-2)9-17(15)22(30)32)20-10-18-19(35-20)5-6-21(27-18)29-8-7-25-13-29/h3-10,13-14H,11-12H2,1-2H3,(H2,26,28,31,33)/t24-/m0/s1
InChIKeyFDQYJTWRNHLBSC-DEOSSOPVSA-N
XLogP2.35
TPSA131.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
The IUPAC name of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide (CID 88582265) is N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide.
What is the SMILES notation for N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
The canonical SMILES for N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide is COc1ccc2c(c1)C(=O)N(C[C@](C)(NC(=O)NC=O)c1cc3nc(-n4ccnc4)ccc3o1)C2.
What is the InChIKey of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
The InChIKey is FDQYJTWRNHLBSC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22N6O5/c1-24(28-23(33)26-14-31,12-30-11-15-3-4-16(34-2)9-17(15)22(30)32)20-10-18-19(35-20)5-6-21(27-18)29-8-7-25-13-29/h3-10,13-14H,11-12H2,1-2H3,(H2,26,28,31,33)/t24-/m0/s1.
What are the key properties of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide has a molecular weight of 474.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide is sourced from PubChem (CID 88582265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).