2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine

C25H26N6O — CID 66679301

IUPAC2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]nc2-c2cccnc2-c2ccc(OCCN3CCCC3)cc2)n1
InChIInChI=1S/C25H26N6O/c1-18-6-4-8-22(27-18)25-24(28-30-29-25)21-7-5-13-26-23(21)19-9-11-20(12-10-19)32-17-16-31-14-2-3-15-31/h4-13H,2-3,14-17H2,1H3,(H,28,29,30)
InChIKeyXKAMRRHBSDNETG-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.38
Rot. Bonds7

About 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine

2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine (PubChem CID 66679301) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine
PubChem CID66679301
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]nc2-c2cccnc2-c2ccc(OCCN3CCCC3)cc2)n1
InChIInChI=1S/C25H26N6O/c1-18-6-4-8-22(27-18)25-24(28-30-29-25)21-7-5-13-26-23(21)19-9-11-20(12-10-19)32-17-16-31-14-2-3-15-31/h4-13H,2-3,14-17H2,1H3,(H,28,29,30)
InChIKeyXKAMRRHBSDNETG-UHFFFAOYSA-N
XLogP4.38
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
3-(5-methyl-3-pyridin-2-yltriazol-4-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 66679302
4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine
CID 69350657
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
CID 11617527
2-[2-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 174733983
3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 174231173
1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 66638072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine?
The IUPAC name of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine (CID 66679301) is 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine?
The canonical SMILES for 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine is Cc1cccc(-c2n[nH]nc2-c2cccnc2-c2ccc(OCCN3CCCC3)cc2)n1.
What is the InChIKey of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine?
The InChIKey is XKAMRRHBSDNETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-18-6-4-8-22(27-18)25-24(28-30-29-25)21-7-5-13-26-23(21)19-9-11-20(12-10-19)32-17-16-31-14-2-3-15-31/h4-13H,2-3,14-17H2,1H3,(H,28,29,30).
What are the key properties of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine?
2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine has a molecular weight of 426.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-2H-triazol-4-yl]pyridine is sourced from PubChem (CID 66679301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).