4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine

C26H29N7O — CID 165005947

IUPAC4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine
SMILESCc1ccc(OC2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cn1
InChIInChI=1S/C26H29N7O/c1-17-4-6-24(16-27-17)34-23-8-10-33(11-9-23)25-7-5-20(15-28-25)26-29-18(2)12-21(30-26)14-22-13-19(3)31-32-22/h4-7,12-13,15-16,23H,8-11,14H2,1-3H3,(H,31,32)
InChIKeyMMZCOFIJSHMOBR-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.22
Rot. Bonds6

About 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine

4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine (PubChem CID 165005947) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine
PubChem CID165005947
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine
SMILESCc1ccc(OC2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cn1
InChIInChI=1S/C26H29N7O/c1-17-4-6-24(16-27-17)34-23-8-10-33(11-9-23)25-7-5-20(15-28-25)26-29-18(2)12-21(30-26)14-22-13-19(3)31-32-22/h4-7,12-13,15-16,23H,8-11,14H2,1-3H3,(H,31,32)
InChIKeyMMZCOFIJSHMOBR-UHFFFAOYSA-N
XLogP4.22
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 164994620
1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-N-phenylpiperidine-4-carboxamide
CID 164959778
2-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine
CID 165032947
3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[(5-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 164963576
6-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[(5-methoxy-2-pyridinyl)methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[(5-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 164963575
3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[(3-methylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 164994618
6-[(6-bromo-3-pyridinyl)methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 164992939
6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 165029770
3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-6-[1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]-3,6-diazabicyclo[3.1.1]heptane
CID 165055229
6-[(2-fluoro-3-methoxyphenyl)methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 165014643
6-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]pyridine-3-carbonitrile
CID 164959619
1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine
CID 165056468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine?
The IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine (CID 165005947) is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine is Cc1ccc(OC2CCN(c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cn1.
What is the InChIKey of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine?
The InChIKey is MMZCOFIJSHMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-17-4-6-24(16-27-17)34-23-8-10-33(11-9-23)25-7-5-20(15-28-25)26-29-18(2)12-21(30-26)14-22-13-19(3)31-32-22/h4-7,12-13,15-16,23H,8-11,14H2,1-3H3,(H,31,32).
What are the key properties of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine?
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine has a molecular weight of 455.57 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[6-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 165005947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).