N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen

C25H26FN5O2 — CID 161087632

About N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen

N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 161087632) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 161087632
• Molecular Formula: C25H26FN5O2
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.21
• IUPAC Name: N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1ccc2c(N3CC[C@@H](NC(=O)c4cccnc4)C3)nc(-c3c(O)cccc3F)nc2c1.[H][H].[H][H]
• InChI: InChI=1S/C25H22FN5O2.2H2/c1-15-7-8-18-20(12-15)29-23(22-19(26)5-2-6-21(22)32)30-24(18)31-11-9-17(14-31)28-25(33)16-4-3-10-27-13-16;;/h2-8,10,12-13,17,32H,9,11,14H2,1H3,(H,28,33);2*1H/t17-;;/m1../s1
• InChIKey: UGSVOCIZSIMCIY-ZEECNFPPSA-N
• XLogP: 4.35
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen (CID 161087632) is N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen is Cc1ccc2c(N3CC[C@@H](NC(=O)c4cccnc4)C3)nc(-c3c(O)cccc3F)nc2c1.[H][H].[H][H].

What is the InChIKey of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is UGSVOCIZSIMCIY-ZEECNFPPSA-N. The full InChI is InChI=1S/C25H22FN5O2.2H2/c1-15-7-8-18-20(12-15)29-23(22-19(26)5-2-6-21(22)32)30-24(18)31-11-9-17(14-31)28-25(33)16-4-3-10-27-13-16;;/h2-8,10,12-13,17,32H,9,11,14H2,1H3,(H,28,33);2*1H/t17-;;/m1../s1.

What are the key properties of N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen?

N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 447.51 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161087632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).