5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole

C27H29N7O2 — CID 59589949

IUPAC5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2cc(-c3cccc4nc(Cc5ccc(OCCN6CCCC6)cc5)nn34)cn2)no1
InChIInChI=1S/C27H29N7O2/c1-20-15-23(31-36-20)19-33-18-22(17-28-33)25-5-4-6-27-29-26(30-34(25)27)16-21-7-9-24(10-8-21)35-14-13-32-11-2-3-12-32/h4-10,15,17-18H,2-3,11-14,16,19H2,1H3
InChIKeyWIZWNOKNOBLQGB-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.00
Rot. Bonds9

About 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 59589949) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID59589949
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2cc(-c3cccc4nc(Cc5ccc(OCCN6CCCC6)cc5)nn34)cn2)no1
InChIInChI=1S/C27H29N7O2/c1-20-15-23(31-36-20)19-33-18-22(17-28-33)25-5-4-6-27-29-26(30-34(25)27)16-21-7-9-24(10-8-21)35-14-13-32-11-2-3-12-32/h4-10,15,17-18H,2-3,11-14,16,19H2,1H3
InChIKeyWIZWNOKNOBLQGB-UHFFFAOYSA-N
XLogP4.00
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

3-(5-Methylisoxazol-3-yl)-6-((1-methyl-1,2,3-triazol-4-yl)methyloxy)-1,2,4-triazolo(3,4-a)phthalazine
CID 6918451
3-tert-butyl-7-(5-methylisoxazol-3-yl)-2-(1-methyl-1H-1,2,4-triazol-5-ylmethoxy)pyrazolo(1,5-d)(1,2,4)triazine
CID 6918583
5-Methyl-3-(6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)isoxazole
CID 9885130
3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]triazol-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 18621180
3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 11233780
3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]triazol-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11268445
5-Methyl-3-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole
CID 18413916
1-[4-[4-Amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 132204252
1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 76318078
5-[6-Methoxy-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 162661554
N-(1-methyl-1H-pyrazol-5-yl)-4-(9-((3-methylisoxazol-5-yl)methyl)-8,9-dihydro-7H-6-oxa-1,2,2a1-triazabenzo[cd]azulen-4-yl)pyrimidin-2-amine
CID 145713282
4-[(12R)-12-[(3-methyl-1,2-oxazol-5-yl)methyl]-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145995681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole (CID 59589949) is 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2cc(-c3cccc4nc(Cc5ccc(OCCN6CCCC6)cc5)nn34)cn2)no1.
What is the InChIKey of 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is WIZWNOKNOBLQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-20-15-23(31-36-20)19-33-18-22(17-28-33)25-5-4-6-27-29-26(30-34(25)27)16-21-7-9-24(10-8-21)35-14-13-32-11-2-3-12-32/h4-10,15,17-18H,2-3,11-14,16,19H2,1H3.
What are the key properties of 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 483.58 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 59589949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).