1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol

C23H24ClF2N7O2 — CID 176863944

About 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol

1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 176863944) has the molecular formula C23H24ClF2N7O2 and a molecular weight of 503.94 g/mol. Its IUPAC name is 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
• PubChem CID: 176863944
• Molecular Formula: C23H24ClF2N7O2
• Molecular Weight: 503.94 g/mol
• Exact Mass: 503.16
• IUPAC Name: 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
• SMILES: Cc1c(-c2cc(OCC(C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1[C@@H]1CCNC[C@H]1F
• InChI: InChI=1S/C23H24ClF2N7O2/c1-13-21(30-31-33(13)18-5-6-27-10-17(18)26)14-7-19(22-16(24)9-29-32(22)11-14)35-12-23(2,34)20-4-3-15(25)8-28-20/h3-4,7-9,11,17-18,27,34H,5-6,10,12H2,1-2H3/t17-,18-,23?/m1/s1
• InChIKey: DIPNYQHMOKETPN-JGUPTHKFSA-N
• XLogP: 3.25
• TPSA: 102.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.94
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol?

The IUPAC name of 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol (CID 176863944) is 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol.

What is the SMILES notation for 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol?

The canonical SMILES for 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol is Cc1c(-c2cc(OCC(C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1[C@@H]1CCNC[C@H]1F.

What is the InChIKey of 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol?

The InChIKey is DIPNYQHMOKETPN-JGUPTHKFSA-N. The full InChI is InChI=1S/C23H24ClF2N7O2/c1-13-21(30-31-33(13)18-5-6-27-10-17(18)26)14-7-19(22-16(24)9-29-32(22)11-14)35-12-23(2,34)20-4-3-15(25)8-28-20/h3-4,7-9,11,17-18,27,34H,5-6,10,12H2,1-2H3/t17-,18-,23?/m1/s1.

What are the key properties of 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol?

1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 503.94 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-6-[1-[(3R,4R)-3-fluoropiperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 176863944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).