2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine

C24H24N4O — CID 42193708

IUPAC2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc2cc(-c3[nH]ncc3CN3CCC[C@H]3c3ccccn3)ccc2c1
InChIInChI=1S/C24H24N4O/c1-29-21-10-9-17-13-19(8-7-18(17)14-21)24-20(15-26-27-24)16-28-12-4-6-23(28)22-5-2-3-11-25-22/h2-3,5,7-11,13-15,23H,4,6,12,16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyFZXUFTFRARPTKE-QHCPKHFHSA-N
MW384.48 g/mol
LogP4.97
Rot. Bonds5

About 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine

2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine (PubChem CID 42193708) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
PubChem CID42193708
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc2cc(-c3[nH]ncc3CN3CCC[C@H]3c3ccccn3)ccc2c1
InChIInChI=1S/C24H24N4O/c1-29-21-10-9-17-13-19(8-7-18(17)14-21)24-20(15-26-27-24)16-28-12-4-6-23(28)22-5-2-3-11-25-22/h2-3,5,7-11,13-15,23H,4,6,12,16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyFZXUFTFRARPTKE-QHCPKHFHSA-N
XLogP4.97
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine
CID 56914339
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25286681
4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95550862
3-[(2R)-1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732168
2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 25274849
3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 47001732
4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809425
(R)-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25274602
(8aR,11aS)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201594
5-[(2R)-1-[[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070247
3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732217

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine (CID 42193708) is 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine is COc1ccc2cc(-c3[nH]ncc3CN3CCC[C@H]3c3ccccn3)ccc2c1.
What is the InChIKey of 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is FZXUFTFRARPTKE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N4O/c1-29-21-10-9-17-13-19(8-7-18(17)14-21)24-20(15-26-27-24)16-28-12-4-6-23(28)22-5-2-3-11-25-22/h2-3,5,7-11,13-15,23H,4,6,12,16H2,1H3,(H,26,27)/t23-/m0/s1.
What are the key properties of 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 384.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 42193708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).