1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine

C28H32N6O — CID 165056468

IUPAC1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cc1
InChIInChI=1S/C28H32N6O/c1-20-14-24(17-25-16-21(2)31-32-25)30-27(15-20)23-6-9-28(29-18-23)34-12-10-33(11-13-34)19-22-4-7-26(35-3)8-5-22/h4-9,14-16,18H,10-13,17,19H2,1-3H3,(H,31,32)
InChIKeyFWFCANSGMKPNQG-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.41
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine

1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine (PubChem CID 165056468) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine
PubChem CID165056468
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cc1
InChIInChI=1S/C28H32N6O/c1-20-14-24(17-25-16-21(2)31-32-25)30-27(15-20)23-6-9-28(29-18-23)34-12-10-33(11-13-34)19-22-4-7-26(35-3)8-5-22/h4-9,14-16,18H,10-13,17,19H2,1-3H3,(H,31,32)
InChIKeyFWFCANSGMKPNQG-UHFFFAOYSA-N
XLogP4.41
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 154684821
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
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
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
1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 59019360
6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-methylpyrimidin-4-amine
CID 138022474
[5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-methylphenyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 134514020
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
5-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53126714
N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine (CID 165056468) is 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine is COc1ccc(CN2CCN(c3ccc(-c4cc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine?
The InChIKey is FWFCANSGMKPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-20-14-24(17-25-16-21(2)31-32-25)30-27(15-20)23-6-9-28(29-18-23)34-12-10-33(11-13-34)19-22-4-7-26(35-3)8-5-22/h4-9,14-16,18H,10-13,17,19H2,1-3H3,(H,31,32).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine?
1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine has a molecular weight of 468.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 165056468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).