(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C22H21N5 — CID 42516599

IUPAC(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccc3cnccc23)nc1
InChIInChI=1S/C22H21N5/c1-2-11-24-22(9-1)27-21-8-4-7-20(19(21)15-26-27)25-14-17-6-3-5-16-13-23-12-10-18(16)17/h1-3,5-6,9-13,15,20,25H,4,7-8,14H2/t20-/m0/s1
InChIKeyCASUWCWXGRQFBE-FQEVSTJZSA-N
MW355.44 g/mol
LogP3.98
Rot. Bonds4

About (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 42516599) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID42516599
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC Name(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccc3cnccc23)nc1
InChIInChI=1S/C22H21N5/c1-2-11-24-22(9-1)27-21-8-4-7-20(19(21)15-26-27)25-14-17-6-3-5-16-13-23-12-10-18(16)17/h1-3,5-6,9-13,15,20,25H,4,7-8,14H2/t20-/m0/s1
InChIKeyCASUWCWXGRQFBE-FQEVSTJZSA-N
XLogP3.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 42525614
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
(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26407661
(4R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42532152
(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
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
(4R)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42198835
(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45238028
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45190278
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 42516599) is (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccc3cnccc23)nc1.
What is the InChIKey of (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is CASUWCWXGRQFBE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21N5/c1-2-11-24-22(9-1)27-21-8-4-7-20(19(21)15-26-27)25-14-17-6-3-5-16-13-23-12-10-18(16)17/h1-3,5-6,9-13,15,20,25H,4,7-8,14H2/t20-/m0/s1.
What are the key properties of (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 355.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 42516599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).