[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid

C28H29FN6O3 — CID 67960628

IUPAC[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5cccc(F)c5)cc34)n2)CC1
InChIInChI=1S/C28H29FN6O3/c29-20-5-3-4-18(14-20)19-7-8-24-22(15-19)27(33-35(24)26-6-1-2-13-38-26)23-16-30-17-25(32-23)34-11-9-21(10-12-34)31-28(36)37/h3-5,7-8,14-17,21,26,31H,1-2,6,9-13H2,(H,36,37)
InChIKeyFVLCYOGZKRGNNM-UHFFFAOYSA-N
MW516.58 g/mol
LogP5.23
Rot. Bonds5

About [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid

[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid (PubChem CID 67960628) has the molecular formula C28H29FN6O3 and a molecular weight of 516.58 g/mol. Its IUPAC name is [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid
PubChem CID67960628
Molecular FormulaC28H29FN6O3
Molecular Weight516.58 g/mol
Exact Mass516.23
IUPAC Name[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5cccc(F)c5)cc34)n2)CC1
InChIInChI=1S/C28H29FN6O3/c29-20-5-3-4-18(14-20)19-7-8-24-22(15-19)27(33-35(24)26-6-1-2-13-38-26)23-16-30-17-25(32-23)34-11-9-21(10-12-34)31-28(36)37/h3-5,7-8,14-17,21,26,31H,1-2,6,9-13H2,(H,36,37)
InChIKeyFVLCYOGZKRGNNM-UHFFFAOYSA-N
XLogP5.23
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid (CID 67960628) is [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(c2cncc(-c3nn(C4CCCCO4)c4ccc(-c5cccc(F)c5)cc34)n2)CC1.
What is the InChIKey of [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid?
The InChIKey is FVLCYOGZKRGNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3/c29-20-5-3-4-18(14-20)19-7-8-24-22(15-19)27(33-35(24)26-6-1-2-13-38-26)23-16-30-17-25(32-23)34-11-9-21(10-12-34)31-28(36)37/h3-5,7-8,14-17,21,26,31H,1-2,6,9-13H2,(H,36,37).
What are the key properties of [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid?
[1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid has a molecular weight of 516.58 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[5-(3-fluorophenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67960628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).