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

C25H30N6O2 — CID 155226073

IUPACN-[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
SMILESCOc1cc(-c2[nH]c3cnc(C4CCC(NC5COC5)C4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H30N6O2/c1-14(2)23-19-8-20(15-4-5-17(6-15)29-18-11-33-12-18)26-9-21(19)30-24(23)16-7-22(32-3)25-27-13-28-31(25)10-16/h7-10,13-15,17-18,29-30H,4-6,11-12H2,1-3H3
InChIKeyWONKJSUVBXVNDD-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.03
Rot. Bonds6

About 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

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 (PubChem CID 155226073) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]oxetan-3-amine
PubChem CID155226073
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-[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
SMILESCOc1cc(-c2[nH]c3cnc(C4CCC(NC5COC5)C4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H30N6O2/c1-14(2)23-19-8-20(15-4-5-17(6-15)29-18-11-33-12-18)26-9-21(19)30-24(23)16-7-22(32-3)25-27-13-28-31(25)10-16/h7-10,13-15,17-18,29-30H,4-6,11-12H2,1-3H3
InChIKeyWONKJSUVBXVNDD-UHFFFAOYSA-N
XLogP4.03
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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-indol-5-yl]cyclobutyl]oxetan-3-amine
CID 154639635
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
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
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
2-(dimethylamino)-N-[1-[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]piperidin-4-yl]acetamide
CID 155226197
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
6-(4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 147331841
4-[6-fluoro-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-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine
CID 138686914
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
2-[4-[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]piperazin-1-yl]-N-methylacetamide
CID 155226142
6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 155226196
7,8-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155226265

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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]oxetan-3-amine (CID 155226073) is 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.
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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]oxetan-3-amine is COc1cc(-c2[nH]c3cnc(C4CCC(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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]oxetan-3-amine?
The InChIKey is WONKJSUVBXVNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-14(2)23-19-8-20(15-4-5-17(6-15)29-18-11-33-12-18)26-9-21(19)30-24(23)16-7-22(32-3)25-27-13-28-31(25)10-16/h7-10,13-15,17-18,29-30H,4-6,11-12H2,1-3H3.
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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]oxetan-3-amine?
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 has a molecular weight of 446.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyrrolo[2,3-c]pyridin-5-yl]cyclopentyl]oxetan-3-amine is sourced from PubChem (CID 155226073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).