N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine

C25H29N5O2 — CID 154639635

IUPACN-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CC(NC5COC5)C4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H29N5O2/c1-14(2)23-20-8-15(16-6-18(7-16)28-19-11-32-12-19)4-5-21(20)29-24(23)17-9-22(31-3)25-26-13-27-30(25)10-17/h4-5,8-10,13-14,16,18-19,28-29H,6-7,11-12H2,1-3H3
InChIKeyJBYMFLNXHARTEP-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.24
Rot. Bonds6

About N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine

N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine (PubChem CID 154639635) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine
PubChem CID154639635
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CC(NC5COC5)C4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H29N5O2/c1-14(2)23-20-8-15(16-6-18(7-16)28-19-11-32-12-19)4-5-21(20)29-24(23)17-9-22(31-3)25-26-13-27-30(25)10-17/h4-5,8-10,13-14,16,18-19,28-29H,6-7,11-12H2,1-3H3
InChIKeyJBYMFLNXHARTEP-UHFFFAOYSA-N
XLogP4.24
TPSA76.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine with MolForge

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Related Compounds

N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]oxetan-3-amine
CID 155226073
8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride
CID 140830339
8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 154639581
3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
CID 154639556
2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide
CID 154639602
1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 158399041
4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine
CID 138686809
N-(1-cyclopropylethyl)-3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentan-1-amine
CID 138686215
N-ethyl-2-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]-N-methylacetamide
CID 155154899
2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone
CID 155142294
8-methoxy-6-[5-[3-[2-(3-methyloxetan-3-yl)ethyl]cyclobutyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158704467
3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
CID 155142382

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine?
The IUPAC name of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine (CID 154639635) is N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine.
What is the SMILES notation for N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine?
The canonical SMILES for N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine is COc1cc(-c2[nH]c3ccc(C4CC(NC5COC5)C4)cc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine?
The InChIKey is JBYMFLNXHARTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-14(2)23-20-8-15(16-6-18(7-16)28-19-11-32-12-19)4-5-21(20)29-24(23)17-9-22(31-3)25-26-13-27-30(25)10-17/h4-5,8-10,13-14,16,18-19,28-29H,6-7,11-12H2,1-3H3.
What are the key properties of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine?
N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine has a molecular weight of 431.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine is sourced from PubChem (CID 154639635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).