N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C₂₆H₂₇N₅O₄ — CID 151682058

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 151682058) has the molecular formula C₂₆H₂₇N₅O₄ and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
• PubChem CID: 151682058
• Molecular Formula: C₂₆H₂₇N₅O₄
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
• SMILES: Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1
• InChI: InChI=1S/C26H27N5O4/c1-16-20(12-18-4-6-19(7-5-18)23-14-35-17(2)28-23)13-22(29-25(16)31-10-3-9-27-31)26(33)30-21-8-11-34-15-24(21)32/h3-7,9-10,13-14,21,24,32H,8,11-12,15H2,1-2H3,(H,30,33)/t21-,24-/m0/s1
• InChIKey: RASYOEYYNADNAZ-URXFXBBRSA-N
• XLogP: 3.01
• TPSA: 115.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 151682058) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1.

What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The InChIKey is RASYOEYYNADNAZ-URXFXBBRSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16-20(12-18-4-6-19(7-5-18)23-14-35-17(2)28-23)13-22(29-25(16)31-10-3-9-27-31)26(33)30-21-8-11-34-15-24(21)32/h3-7,9-10,13-14,21,24,32H,8,11-12,15H2,1-2H3,(H,30,33)/t21-,24-/m0/s1.

What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 151682058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151682058 — identifiers, structure, computed properties (public domain)

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