2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol

C17H24N4O — CID 45210671

IUPAC2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C17H24N4O/c1-17(2,12-22)11-19-14-6-5-7-15-13(14)10-20-21(15)16-8-3-4-9-18-16/h3-4,8-10,14,19,22H,5-7,11-12H2,1-2H3
InChIKeyRQEMJGLHOCLYHK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.25
Rot. Bonds5

About 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol

2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol (PubChem CID 45210671) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
PubChem CID45210671
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C17H24N4O/c1-17(2,12-22)11-19-14-6-5-7-15-13(14)10-20-21(15)16-8-3-4-9-18-16/h3-4,8-10,14,19,22H,5-7,11-12H2,1-2H3
InChIKeyRQEMJGLHOCLYHK-UHFFFAOYSA-N
XLogP2.25
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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
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
3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 110225912
(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 95857278
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
(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
2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591527
(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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol (CID 45210671) is 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol is CC(C)(CO)CNC1CCCc2c1cnn2-c1ccccn1.
What is the InChIKey of 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The InChIKey is RQEMJGLHOCLYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2,12-22)11-19-14-6-5-7-15-13(14)10-20-21(15)16-8-3-4-9-18-16/h3-4,8-10,14,19,22H,5-7,11-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol has a molecular weight of 300.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol is sourced from PubChem (CID 45210671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).