2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine

C27H32F2N8O2 — CID 169267259

IUPAC2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine
SMILESCc1c(-c2cc(OCC(c3ccc(F)cn3)N(C)C)c3c(F)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C27H32F2N8O2/c1-17-26(32-33-37(17)20-6-8-35(9-7-20)21-14-38-15-21)18-10-25(27-22(29)12-31-36(27)13-18)39-16-24(34(2)3)23-5-4-19(28)11-30-23/h4-5,10-13,20-21,24H,6-9,14-16H2,1-3H3
InChIKeyGJWHKTGHVKNOTK-UHFFFAOYSA-N
MW538.60 g/mol
LogP3.29
Rot. Bonds8

About 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine

2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine (PubChem CID 169267259) has the molecular formula C27H32F2N8O2 and a molecular weight of 538.60 g/mol. Its IUPAC name is 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine
PubChem CID169267259
Molecular FormulaC27H32F2N8O2
Molecular Weight538.60 g/mol
Exact Mass538.26
IUPAC Name2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine
SMILESCc1c(-c2cc(OCC(c3ccc(F)cn3)N(C)C)c3c(F)cnn3c2)nnn1C1CCN(C2COC2)CC1
InChIInChI=1S/C27H32F2N8O2/c1-17-26(32-33-37(17)20-6-8-35(9-7-20)21-14-38-15-21)18-10-25(27-22(29)12-31-36(27)13-18)39-16-24(34(2)3)23-5-4-19(28)11-30-23/h4-5,10-13,20-21,24H,6-9,14-16H2,1-3H3
InChIKeyGJWHKTGHVKNOTK-UHFFFAOYSA-N
XLogP3.29
TPSA85.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine?
The IUPAC name of 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine (CID 169267259) is 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine is Cc1c(-c2cc(OCC(c3ccc(F)cn3)N(C)C)c3c(F)cnn3c2)nnn1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine?
The InChIKey is GJWHKTGHVKNOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N8O2/c1-17-26(32-33-37(17)20-6-8-35(9-7-20)21-14-38-15-21)18-10-25(27-22(29)12-31-36(27)13-18)39-16-24(34(2)3)23-5-4-19(28)11-30-23/h4-5,10-13,20-21,24H,6-9,14-16H2,1-3H3.
What are the key properties of 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine?
2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine has a molecular weight of 538.60 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxy-1-(5-fluoro-2-pyridinyl)-N,N-dimethylethanamine is sourced from PubChem (CID 169267259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).