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

C26H27N5O — CID 10342372

IUPAC2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1
InChIInChI=1S/C26H27N5O/c1-19-5-4-6-24(29-19)23-18-28-30-26(23)21-11-12-27-25(17-21)20-7-9-22(10-8-20)32-16-15-31-13-2-3-14-31/h4-12,17-18H,2-3,13-16H2,1H3,(H,28,30)
InChIKeyQYFPRQIXLPOKCT-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.98
Rot. Bonds7

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

2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 10342372) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine
PubChem CID10342372
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1
InChIInChI=1S/C26H27N5O/c1-19-5-4-6-24(29-19)23-18-28-30-26(23)21-11-12-27-25(17-21)20-7-9-22(10-8-20)32-16-15-31-13-2-3-14-31/h4-12,17-18H,2-3,13-16H2,1H3,(H,28,30)
InChIKeyQYFPRQIXLPOKCT-UHFFFAOYSA-N
XLogP4.98
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine with MolForge

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
A-443654
CID 10172943
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
Mardepodect hydrochloride
CID 122412737
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine (CID 10342372) is 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine is Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1.
What is the InChIKey of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is QYFPRQIXLPOKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-5-4-6-24(29-19)23-18-28-30-26(23)21-11-12-27-25(17-21)20-7-9-22(10-8-20)32-16-15-31-13-2-3-14-31/h4-12,17-18H,2-3,13-16H2,1H3,(H,28,30).
What are the key properties of 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine?
2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 425.54 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 10342372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).