1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol

C22H19F2N5O — CID 67959841

IUPAC1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1
InChIInChI=1S/C22H19F2N5O/c23-16-2-1-3-17(24)21(16)13-4-5-18-15(10-13)22(28-27-18)19-11-25-12-20(26-19)29-8-6-14(30)7-9-29/h1-5,10-12,14,30H,6-9H2,(H,27,28)
InChIKeyUQJUFHPFHXUISQ-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.93
Rot. Bonds3

About 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol

1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol (PubChem CID 67959841) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol
PubChem CID67959841
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Name1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1
InChIInChI=1S/C22H19F2N5O/c23-16-2-1-3-17(24)21(16)13-4-5-18-15(10-13)22(28-27-18)19-11-25-12-20(26-19)29-8-6-14(30)7-9-29/h1-5,10-12,14,30H,6-9H2,(H,27,28)
InChIKeyUQJUFHPFHXUISQ-UHFFFAOYSA-N
XLogP3.93
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol (CID 67959841) is 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol is OC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1.
What is the InChIKey of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol?
The InChIKey is UQJUFHPFHXUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c23-16-2-1-3-17(24)21(16)13-4-5-18-15(10-13)22(28-27-18)19-11-25-12-20(26-19)29-8-6-14(30)7-9-29/h1-5,10-12,14,30H,6-9H2,(H,27,28).
What are the key properties of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol?
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol has a molecular weight of 407.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 67959841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).