(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone

C21H26N8O2 — CID 122350346

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2cc(Nc3cc(C)ccn3)nc(C)n2)CC1
InChIInChI=1S/C21H26N8O2/c1-14-5-6-22-17(11-14)25-18-12-19(24-15(2)23-18)28-7-9-29(10-8-28)21(30)16-13-27(3)26-20(16)31-4/h5-6,11-13H,7-10H2,1-4H3,(H,22,23,24,25)
InChIKeyGUQACOHIFYYMSW-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.94
Rot. Bonds5

About (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone

(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122350346) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID122350346
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2cc(Nc3cc(C)ccn3)nc(C)n2)CC1
InChIInChI=1S/C21H26N8O2/c1-14-5-6-22-17(11-14)25-18-12-19(24-15(2)23-18)28-7-9-29(10-8-28)21(30)16-13-27(3)26-20(16)31-4/h5-6,11-13H,7-10H2,1-4H3,(H,22,23,24,25)
InChIKeyGUQACOHIFYYMSW-UHFFFAOYSA-N
XLogP1.94
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122351707
(2-bromophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350536
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169
[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122350380
1-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122350326
(4-iodophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350540
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203
(3,4-difluorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350288
[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 122350293
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226
(3,5-dinitrophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350545
2-(4-methoxyphenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349495

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122350346) is (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCN(c2cc(Nc3cc(C)ccn3)nc(C)n2)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is GUQACOHIFYYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-14-5-6-22-17(11-14)25-18-12-19(24-15(2)23-18)28-7-9-29(10-8-28)21(30)16-13-27(3)26-20(16)31-4/h5-6,11-13H,7-10H2,1-4H3,(H,22,23,24,25).
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 422.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122350346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).