cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone

C22H32N6O — CID 124962814

IUPACcyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
SMILESCc1nc(C[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C22H32N6O/c1-15-11-21(27-26-15)25-20-13-19(23-16(2)24-20)12-17-7-6-10-28(14-17)22(29)18-8-4-3-5-9-18/h11,13,17-18H,3-10,12,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1
InChIKeyHLPUUMXXGHMJIQ-QGZVFWFLSA-N
MW396.54 g/mol
LogP3.92
Rot. Bonds5

About cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone

cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone (PubChem CID 124962814) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
PubChem CID124962814
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Namecyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
SMILESCc1nc(C[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C22H32N6O/c1-15-11-21(27-26-15)25-20-13-19(23-16(2)24-20)12-17-7-6-10-28(14-17)22(29)18-8-4-3-5-9-18/h11,13,17-18H,3-10,12,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1
InChIKeyHLPUUMXXGHMJIQ-QGZVFWFLSA-N
XLogP3.92
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 124964141
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 124995206
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110255875
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110096699
N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
CID 110096693
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254
1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 167954604
(2-chlorophenyl)-[(3S)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 124986495
(2-chlorophenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 124986496

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone (CID 124962814) is cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone is Cc1nc(C[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is HLPUUMXXGHMJIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N6O/c1-15-11-21(27-26-15)25-20-13-19(23-16(2)24-20)12-17-7-6-10-28(14-17)22(29)18-8-4-3-5-9-18/h11,13,17-18H,3-10,12,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 396.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124962814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).