N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide

C25H27FN6O4 — CID 24815141

About N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide

N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 24815141) has the molecular formula C25H27FN6O4 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
• PubChem CID: 24815141
• Molecular Formula: C25H27FN6O4
• Molecular Weight: 494.53 g/mol
• Exact Mass: 494.21
• IUPAC Name: N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
• SMILES: CCCn1c(=O)c2[nH]c(-c3ccc(N(CCO)C(=O)c4ccc(F)nc4)nc3)cc2n(CCC)c1=O
• InChI: InChI=1S/C25H27FN6O4/c1-3-9-30-19-13-18(29-22(19)24(35)32(10-4-2)25(30)36)16-6-8-21(28-14-16)31(11-12-33)23(34)17-5-7-20(26)27-15-17/h5-8,13-15,29,33H,3-4,9-12H2,1-2H3
• InChIKey: QMCZHNDNGPBCMZ-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 126.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.53
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?

The IUPAC name of N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 24815141) is N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide is CCCn1c(=O)c2[nH]c(-c3ccc(N(CCO)C(=O)c4ccc(F)nc4)nc3)cc2n(CCC)c1=O.

What is the InChIKey of N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?

The InChIKey is QMCZHNDNGPBCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O4/c1-3-9-30-19-13-18(29-22(19)24(35)32(10-4-2)25(30)36)16-6-8-21(28-14-16)31(11-12-33)23(34)17-5-7-20(26)27-15-17/h5-8,13-15,29,33H,3-4,9-12H2,1-2H3.

What are the key properties of N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide?

N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-2-pyridinyl]-6-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24815141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).