N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C26H28N6O3 — CID 121338333

About N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338333) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• PubChem CID: 121338333
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• SMILES: C=CCn1cc(C(=O)N(C)C2CCN(c3cc(-c4ccco4)ncn3)CC2)c2cc(C)[nH]c2c1=O
• InChI: InChI=1S/C26H28N6O3/c1-4-9-32-15-20(19-13-17(2)29-24(19)26(32)34)25(33)30(3)18-7-10-31(11-8-18)23-14-21(27-16-28-23)22-6-5-12-35-22/h4-6,12-16,18,29H,1,7-11H2,2-3H3
• InChIKey: GPDLKVAIFYUNFH-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 100.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The IUPAC name of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338333) is N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

What is the SMILES notation for N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The canonical SMILES for N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is C=CCn1cc(C(=O)N(C)C2CCN(c3cc(-c4ccco4)ncn3)CC2)c2cc(C)[nH]c2c1=O.

What is the InChIKey of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The InChIKey is GPDLKVAIFYUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-4-9-32-15-20(19-13-17(2)29-24(19)26(32)34)25(33)30(3)18-7-10-31(11-8-18)23-14-21(27-16-28-23)22-6-5-12-35-22/h4-6,12-16,18,29H,1,7-11H2,2-3H3.

What are the key properties of N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N,2-dimethyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).