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

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

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

Launch Full Analysis

Related Compounds

Slv320
CID 9953065
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
4-Amino-6-{[1-(3-Fluorobenzyl)-1h-Indazol-5-Yl]amino}pyrimidine-5-Carbaldehyde O-(2-Methoxyethyl)oxime
CID 17747343
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
1-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698642
1-phenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 611207
3-methyl-1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093245
1-(3-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093251
1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093255
3-(1h-Indazol-4-Yl{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}amino)propan-1-Ol
CID 24751024
1-benzyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1391495
N-(2-methylphenyl)-N-[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine
CID 721032

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).