N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide

C24H21N7O6 — CID 143989632

About N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide

N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide (PubChem CID 143989632) has the molecular formula C24H21N7O6 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide.

Molecular Properties

• Compound Name: N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide
• PubChem CID: 143989632
• Molecular Formula: C24H21N7O6
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.16
• IUPAC Name: N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide
• SMILES: C[C@@](CN1Cc2ccc(O)cc2C1=O)(NC(=O)NC=O)c1cc2cc(-c3cc(=O)[nH]c(N)n3)cnc2o1
• InChI: InChI=1S/C24H21N7O6/c1-24(30-23(36)27-11-32,10-31-9-12-2-3-15(33)6-16(12)21(31)35)18-5-13-4-14(8-26-20(13)37-18)17-7-19(34)29-22(25)28-17/h2-8,11,33H,9-10H2,1H3,(H3,25,28,29,34)(H2,27,30,32,36)/t24-/m0/s1
• InChIKey: BKLXELOSZHIKTB-DEOSSOPVSA-N
• XLogP: 1.19
• TPSA: 196.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

The IUPAC name of N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide (CID 143989632) is N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide.

What is the SMILES notation for N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

The canonical SMILES for N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide is C[C@@](CN1Cc2ccc(O)cc2C1=O)(NC(=O)NC=O)c1cc2cc(-c3cc(=O)[nH]c(N)n3)cnc2o1.

What is the InChIKey of N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

The InChIKey is BKLXELOSZHIKTB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21N7O6/c1-24(30-23(36)27-11-32,10-31-9-12-2-3-15(33)6-16(12)21(31)35)18-5-13-4-14(8-26-20(13)37-18)17-7-19(34)29-22(25)28-17/h2-8,11,33H,9-10H2,1H3,(H3,25,28,29,34)(H2,27,30,32,36)/t24-/m0/s1.

What are the key properties of N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide has a molecular weight of 503.48 g/mol, XLogP of 1.19, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-2-[5-(2-amino-6-oxo-1H-pyrimidin-4-yl)furo[2,3-b]pyridin-2-yl]-1-(5-hydroxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide is sourced from PubChem (CID 143989632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).