(2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C27H26N4O2 — CID 23647006

IUPAC(2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCOc1ccc2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C27H26N4O2/c1-17-24-12-19(7-9-26(24)31-30-17)20-11-22(15-29-14-20)33-16-21(28)13-25-23-6-4-3-5-18(23)8-10-27(25)32-2/h3-12,14-15,21H,13,16,28H2,1-2H3,(H,30,31)/t21-/m0/s1
InChIKeyXVXQGSUYHLNMTC-NRFANRHFSA-N
MW438.53 g/mol
LogP5.04
Rot. Bonds7

About (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23647006) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID23647006
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCOc1ccc2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C27H26N4O2/c1-17-24-12-19(7-9-26(24)31-30-17)20-11-22(15-29-14-20)33-16-21(28)13-25-23-6-4-3-5-18(23)8-10-27(25)32-2/h3-12,14-15,21H,13,16,28H2,1-2H3,(H,30,31)/t21-/m0/s1
InChIKeyXVXQGSUYHLNMTC-NRFANRHFSA-N
XLogP5.04
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
3-Pyridin-4-YL-2,4-dihydro-indeno(1,2-.C.) pyrazole
CID 16122642
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
5-{5-[(2S)-2-amino-3-(2-chlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 10475646
5-{5-[(2S)-2-amino-3-(3,5-dichlorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731495
5-{5-[(2S)-2-amino-3-(4-bromo-2-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731496
5-{5-[(2S)-2-amino-3-(4-bromo-3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731497
5-{5-[(2S)-2-amino-3-(2-bromo-4,6-difluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731498
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 23647006) is (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is COc1ccc2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1.
What is the InChIKey of (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is XVXQGSUYHLNMTC-NRFANRHFSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-17-24-12-19(7-9-26(24)31-30-17)20-11-22(15-29-14-20)33-16-21(28)13-25-23-6-4-3-5-18(23)8-10-27(25)32-2/h3-12,14-15,21H,13,16,28H2,1-2H3,(H,30,31)/t21-/m0/s1.
What are the key properties of (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 438.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxynaphthalen-1-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23647006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).