2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol

C24H26N4O — CID 42530705

IUPAC2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1
InChIInChI=1S/C24H26N4O/c1-24(2,29)14-13-18-9-11-19(12-10-18)16-26-21-6-5-7-22-20(21)17-27-28(22)23-8-3-4-15-25-23/h3-4,8-12,15,17,21,26,29H,5-7,16H2,1-2H3/t21-/m1/s1
InChIKeyXNOJOKBJLOZXTH-OAQYLSRUSA-N
MW386.50 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol

2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol (PubChem CID 42530705) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol
PubChem CID42530705
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1
InChIInChI=1S/C24H26N4O/c1-24(2,29)14-13-18-9-11-19(12-10-18)16-26-21-6-5-7-22-20(21)17-27-28(22)23-8-3-4-15-25-23/h3-4,8-12,15,17,21,26,29H,5-7,16H2,1-2H3/t21-/m1/s1
InChIKeyXNOJOKBJLOZXTH-OAQYLSRUSA-N
XLogP3.56
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 29086175
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
(4R)-N-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26408861
(4R)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42293274
(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42591832
(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42197780
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol?
The IUPAC name of 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol (CID 42530705) is 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol is CC(C)(O)C#Cc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1.
What is the InChIKey of 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol?
The InChIKey is XNOJOKBJLOZXTH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O/c1-24(2,29)14-13-18-9-11-19(12-10-18)16-26-21-6-5-7-22-20(21)17-27-28(22)23-8-3-4-15-25-23/h3-4,8-12,15,17,21,26,29H,5-7,16H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol?
2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol has a molecular weight of 386.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol is sourced from PubChem (CID 42530705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).