(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

C23H22N4O — CID 42197780

IUPAC(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccc(-c3ccco3)c2)nc1
InChIInChI=1S/C23H22N4O/c1-2-12-24-23(11-1)27-21-9-4-8-20(19(21)16-26-27)25-15-17-6-3-7-18(14-17)22-10-5-13-28-22/h1-3,5-7,10-14,16,20,25H,4,8-9,15H2/t20-/m0/s1
InChIKeyJYQKDFURTAJORW-FQEVSTJZSA-N
MW370.46 g/mol
LogP4.69
Rot. Bonds5

About (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 42197780) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID42197780
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccc(-c3ccco3)c2)nc1
InChIInChI=1S/C23H22N4O/c1-2-12-24-23(11-1)27-21-9-4-8-20(19(21)16-26-27)25-15-17-6-3-7-18(14-17)22-10-5-13-28-22/h1-3,5-7,10-14,16,20,25H,4,8-9,15H2/t20-/m0/s1
InChIKeyJYQKDFURTAJORW-FQEVSTJZSA-N
XLogP4.69
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
(4R)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42293274
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45190278
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
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
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
(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 (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 42197780) is (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccc(-c3ccco3)c2)nc1.
What is the InChIKey of (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is JYQKDFURTAJORW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22N4O/c1-2-12-24-23(11-1)27-21-9-4-8-20(19(21)16-26-27)25-15-17-6-3-7-18(14-17)22-10-5-13-28-22/h1-3,5-7,10-14,16,20,25H,4,8-9,15H2/t20-/m0/s1.
What are the key properties of (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 370.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 42197780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).