4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H26ClFN8O3 — CID 169267606

About 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267606) has the molecular formula C26H26ClFN8O3 and a molecular weight of 553.00 g/mol. Its IUPAC name is 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 169267606
• Molecular Formula: C26H26ClFN8O3
• Molecular Weight: 553.00 g/mol
• Exact Mass: 552.18
• IUPAC Name: 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cc(OC[C@H](O)c3ncc(F)cc3Cl)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1
• InChI: InChI=1S/C26H26ClFN8O3/c1-15-24(32-33-36(15)19-2-4-34(5-3-19)20-12-38-13-20)16-6-23(26-17(8-29)9-31-35(26)11-16)39-14-22(37)25-21(27)7-18(28)10-30-25/h6-7,9-11,19-20,22,37H,2-5,12-14H2,1H3/t22-/m0/s1
• InChIKey: LIPCUSJUMWWDKB-QFIPXVFZSA-N
• XLogP: 3.11
• TPSA: 126.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.00
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267606) is 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(OC[C@H](O)c3ncc(F)cc3Cl)c3c(C#N)cnn3c2)nnn1C1CCN(C2COC2)CC1.

What is the InChIKey of 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is LIPCUSJUMWWDKB-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H26ClFN8O3/c1-15-24(32-33-36(15)19-2-4-34(5-3-19)20-12-38-13-20)16-6-23(26-17(8-29)9-31-35(26)11-16)39-14-22(37)25-21(27)7-18(28)10-30-25/h6-7,9-11,19-20,22,37H,2-5,12-14H2,1H3/t22-/m0/s1.

What are the key properties of 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 553.00 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-2-(3-chloro-5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).