(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C21H23ClN4O2 — CID 42532152

IUPAC(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1cc(Cl)cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)c1OC
InChIInChI=1S/C21H23ClN4O2/c1-27-19-11-15(22)10-14(21(19)28-2)12-24-17-6-5-7-18-16(17)13-25-26(18)20-8-3-4-9-23-20/h3-4,8-11,13,17,24H,5-7,12H2,1-2H3/t17-/m1/s1
InChIKeyCXFJIHKSYMTWTO-QGZVFWFLSA-N
MW398.89 g/mol
LogP4.11
Rot. Bonds6

About (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 42532152) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID42532152
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1cc(Cl)cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)c1OC
InChIInChI=1S/C21H23ClN4O2/c1-27-19-11-15(22)10-14(21(19)28-2)12-24-17-6-5-7-18-16(17)13-25-26(18)20-8-3-4-9-23-20/h3-4,8-11,13,17,24H,5-7,12H2,1-2H3/t17-/m1/s1
InChIKeyCXFJIHKSYMTWTO-QGZVFWFLSA-N
XLogP4.11
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198835
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
(4R)-N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198917
(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
N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45238028
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
(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-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 29217398
(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45190278

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 42532152) is (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is COc1cc(Cl)cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)c1OC.
What is the InChIKey of (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is CXFJIHKSYMTWTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-27-19-11-15(22)10-14(21(19)28-2)12-24-17-6-5-7-18-16(17)13-25-26(18)20-8-3-4-9-23-20/h3-4,8-11,13,17,24H,5-7,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 398.89 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 42532152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).