(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C22H26N4O — CID 42198835

IUPAC(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1cc(C)c(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1C
InChIInChI=1S/C22H26N4O/c1-15-12-21(27-3)16(2)11-17(15)13-24-19-7-6-8-20-18(19)14-25-26(20)22-9-4-5-10-23-22/h4-5,9-12,14,19,24H,6-8,13H2,1-3H3/t19-/m1/s1
InChIKeyCCPAKPMBEXKGJV-LJQANCHMSA-N
MW362.48 g/mol
LogP4.06
Rot. Bonds5

About (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 42198835) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID42198835
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1cc(C)c(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1C
InChIInChI=1S/C22H26N4O/c1-15-12-21(27-3)16(2)11-17(15)13-24-19-7-6-8-20-18(19)14-25-26(20)22-9-4-5-10-23-22/h4-5,9-12,14,19,24H,6-8,13H2,1-3H3/t19-/m1/s1
InChIKeyCCPAKPMBEXKGJV-LJQANCHMSA-N
XLogP4.06
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42532152
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
(4R)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198917
(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42591832
(4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42292954
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
(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
(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26407661
N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45238028

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 42198835) is (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is COc1cc(C)c(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1C.
What is the InChIKey of (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is CCPAKPMBEXKGJV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-12-21(27-3)16(2)11-17(15)13-24-19-7-6-8-20-18(19)14-25-26(20)22-9-4-5-10-23-22/h4-5,9-12,14,19,24H,6-8,13H2,1-3H3/t19-/m1/s1.
What are the key properties of (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 362.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 42198835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).