3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H23N5O — CID 31161158

IUPAC3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(Cc2n[nH]c3c2CN(Cc2cnc(C)nc2)CC3)cc1
InChIInChI=1S/C20H23N5O/c1-14-21-10-16(11-22-14)12-25-8-7-19-18(13-25)20(24-23-19)9-15-3-5-17(26-2)6-4-15/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,23,24)
InChIKeyXMRZXCSUNXJGFA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.67
Rot. Bonds5

About 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 31161158) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID31161158
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(Cc2n[nH]c3c2CN(Cc2cnc(C)nc2)CC3)cc1
InChIInChI=1S/C20H23N5O/c1-14-21-10-16(11-22-14)12-25-8-7-19-18(13-25)20(24-23-19)9-15-3-5-17(26-2)6-4-15/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,23,24)
InChIKeyXMRZXCSUNXJGFA-UHFFFAOYSA-N
XLogP2.67
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498792
3-[(4-chlorophenyl)methyl]-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31191742
3-ethyl-5-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118493373
3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 140988917
2-benzyl-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53357548
2-[(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methyl]-3,5-dimethoxybenzoic acid
CID 74247656
6-[[6-(2,5-dimethoxyphenyl)-3-pyridinyl]methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24921871
2-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 67372261
2-tert-butyl-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919982
6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 156806650
[5-(1-benzofuran-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
CID 77096737

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 31161158) is 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1ccc(Cc2n[nH]c3c2CN(Cc2cnc(C)nc2)CC3)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XMRZXCSUNXJGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-21-10-16(11-22-14)12-25-8-7-19-18(13-25)20(24-23-19)9-15-3-5-17(26-2)6-4-15/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 349.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 31161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).