4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

C17H19N5O — CID 24957306

IUPAC4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C17H19N5O/c23-14-7-5-13(6-8-14)20-17-18-10-9-16(21-17)22-15-4-2-1-3-12(15)11-19-22/h1-4,9-11,13-14,23H,5-8H2,(H,18,20,21)
InChIKeyDPTBYUQHDCZBPL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds3

About 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 24957306) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID24957306
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C17H19N5O/c23-14-7-5-13(6-8-14)20-17-18-10-9-16(21-17)22-15-4-2-1-3-12(15)11-19-22/h1-4,9-11,13-14,23H,5-8H2,(H,18,20,21)
InChIKeyDPTBYUQHDCZBPL-UHFFFAOYSA-N
XLogP2.53
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 24957306) is 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-n3ncc4ccccc43)n2)CC1.
What is the InChIKey of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is DPTBYUQHDCZBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-14-7-5-13(6-8-14)20-17-18-10-9-16(21-17)22-15-4-2-1-3-12(15)11-19-22/h1-4,9-11,13-14,23H,5-8H2,(H,18,20,21).
What are the key properties of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 24957306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).