3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide

C25H23F2N5O2 — CID 171469203

IUPAC3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(n2cc3ccc(-c4cncnc4)cc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C25H23F2N5O2/c26-21-7-18(8-22(27)24(21)33)25(34)30-10-15-1-5-20(6-2-15)32-13-17-4-3-16(9-23(17)31-32)19-11-28-14-29-12-19/h3-4,7-9,11-15,20,33H,1-2,5-6,10H2,(H,30,34)
InChIKeyGBMJZKYBICKTHV-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.64
Rot. Bonds5

About 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide

3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide (PubChem CID 171469203) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide
PubChem CID171469203
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(n2cc3ccc(-c4cncnc4)cc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C25H23F2N5O2/c26-21-7-18(8-22(27)24(21)33)25(34)30-10-15-1-5-20(6-2-15)32-13-17-4-3-16(9-23(17)31-32)19-11-28-14-29-12-19/h3-4,7-9,11-15,20,33H,1-2,5-6,10H2,(H,30,34)
InChIKeyGBMJZKYBICKTHV-UHFFFAOYSA-N
XLogP4.64
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide (CID 171469203) is 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide is O=C(NCC1CCC(n2cc3ccc(-c4cncnc4)cc3n2)CC1)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
The InChIKey is GBMJZKYBICKTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c26-21-7-18(8-22(27)24(21)33)25(34)30-10-15-1-5-20(6-2-15)32-13-17-4-3-16(9-23(17)31-32)19-11-28-14-29-12-19/h3-4,7-9,11-15,20,33H,1-2,5-6,10H2,(H,30,34).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[[4-(6-pyrimidin-5-ylindazol-2-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).