2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine

C25H32N4O2 — CID 110263811

IUPAC2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine
SMILESCOCc1cc(CN2CCCC2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C
InChIInChI=1S/C25H32N4O2/c1-18(2)31-25-10-7-19(12-21(25)17-30-4)15-29-11-5-6-24(29)23-9-8-20(13-26-23)22-14-27-28(3)16-22/h7-10,12-14,16,18,24H,5-6,11,15,17H2,1-4H3
InChIKeyFYSDGIAADJVPTM-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.75
Rot. Bonds8

About 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine

2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine (PubChem CID 110263811) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine
PubChem CID110263811
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine
SMILESCOCc1cc(CN2CCCC2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C
InChIInChI=1S/C25H32N4O2/c1-18(2)31-25-10-7-19(12-21(25)17-30-4)15-29-11-5-6-24(29)23-9-8-20(13-26-23)22-14-27-28(3)16-22/h7-10,12-14,16,18,24H,5-6,11,15,17H2,1-4H3
InChIKeyFYSDGIAADJVPTM-UHFFFAOYSA-N
XLogP4.75
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95835780
5-benzyl-2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine
CID 129459414
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
CID 125014646
3-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809492
N-[6-[(3R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95836059
3-[(2R)-1-[[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732130
2-(4-methoxyphenyl)-2-methyl-1-[(2S)-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 92615795
7-[(2S)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine
CID 146419840
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615457
5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096311
5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine
CID 110262632

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine (CID 110263811) is 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine is COCc1cc(CN2CCCC2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C.
What is the InChIKey of 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is FYSDGIAADJVPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18(2)31-25-10-7-19(12-21(25)17-30-4)15-29-11-5-6-24(29)23-9-8-20(13-26-23)22-14-27-28(3)16-22/h7-10,12-14,16,18,24H,5-6,11,15,17H2,1-4H3.
What are the key properties of 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine?
2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 420.56 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 110263811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).