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

C26H28ClF2N7O3 — CID 169267415

IUPAC(2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCc1c(-c2cc(OC[C@@](C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C26H28ClF2N7O3/c1-15-24(32-33-36(15)21-5-6-34(11-20(21)29)18-12-38-13-18)16-7-22(25-19(27)9-31-35(25)10-16)39-14-26(2,37)23-4-3-17(28)8-30-23/h3-4,7-10,18,20-21,37H,5-6,11-14H2,1-2H3/t20-,21?,26+/m0/s1
InChIKeyQZYOKAVDUOSUQP-MPXHWGBGSA-N
MW560.01 g/mol
LogP3.36
Rot. Bonds7

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

(2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 169267415) has the molecular formula C26H28ClF2N7O3 and a molecular weight of 560.01 g/mol. Its IUPAC name is (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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(2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
PubChem CID169267415
Molecular FormulaC26H28ClF2N7O3
Molecular Weight560.01 g/mol
Exact Mass559.19
IUPAC Name(2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCc1c(-c2cc(OC[C@@](C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C26H28ClF2N7O3/c1-15-24(32-33-36(15)21-5-6-34(11-20(21)29)18-12-38-13-18)16-7-22(25-19(27)9-31-35(25)10-16)39-14-26(2,37)23-4-3-17(28)8-30-23/h3-4,7-10,18,20-21,37H,5-6,11-14H2,1-2H3/t20-,21?,26+/m0/s1
InChIKeyQZYOKAVDUOSUQP-MPXHWGBGSA-N
XLogP3.36
TPSA102.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.01
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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 (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol (CID 169267415) is (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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 (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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 (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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(OC[C@@](C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C2COC2)C[C@@H]1F.
What is the InChIKey of (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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 QZYOKAVDUOSUQP-MPXHWGBGSA-N. The full InChI is InChI=1S/C26H28ClF2N7O3/c1-15-24(32-33-36(15)21-5-6-34(11-20(21)29)18-12-38-13-18)16-7-22(25-19(27)9-31-35(25)10-16)39-14-26(2,37)23-4-3-17(28)8-30-23/h3-4,7-10,18,20-21,37H,5-6,11-14H2,1-2H3/t20-,21?,26+/m0/s1.
What are the key properties of (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)propan-2-ol?
(2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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 560.01 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-chloro-6-[1-[(3S)-3-fluoro-1-(oxetan-3-yl)piperidin-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 169267415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).