6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol

C20H22FN5O2 — CID 177071351

IUPAC6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol
SMILESCC1=NC2C(C)=C(O)C(c3cc(F)c4nn(C5CCNCC5)cc4n3)=CC2O1
InChIInChI=1S/C20H22FN5O2/c1-10-18-17(28-11(2)23-18)7-13(20(10)27)15-8-14(21)19-16(24-15)9-26(25-19)12-3-5-22-6-4-12/h7-9,12,17-18,22,27H,3-6H2,1-2H3
InChIKeyGGPNWQHOKRLXTF-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.91
Rot. Bonds2

About 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol

6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol (PubChem CID 177071351) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol
PubChem CID177071351
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol
SMILESCC1=NC2C(C)=C(O)C(c3cc(F)c4nn(C5CCNCC5)cc4n3)=CC2O1
InChIInChI=1S/C20H22FN5O2/c1-10-18-17(28-11(2)23-18)7-13(20(10)27)15-8-14(21)19-16(24-15)9-26(25-19)12-3-5-22-6-4-12/h7-9,12,17-18,22,27H,3-6H2,1-2H3
InChIKeyGGPNWQHOKRLXTF-UHFFFAOYSA-N
XLogP2.91
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol?
The IUPAC name of 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol (CID 177071351) is 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol.
What is the SMILES notation for 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol?
The canonical SMILES for 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol is CC1=NC2C(C)=C(O)C(c3cc(F)c4nn(C5CCNCC5)cc4n3)=CC2O1.
What is the InChIKey of 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol?
The InChIKey is GGPNWQHOKRLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-10-18-17(28-11(2)23-18)7-13(20(10)27)15-8-14(21)19-16(24-15)9-26(25-19)12-3-5-22-6-4-12/h7-9,12,17-18,22,27H,3-6H2,1-2H3.
What are the key properties of 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol?
6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol has a molecular weight of 383.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-2-piperidin-4-ylpyrazolo[4,3-b]pyridin-5-yl)-2,4-dimethyl-3a,7a-dihydro-1,3-benzoxazol-5-ol is sourced from PubChem (CID 177071351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).