N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide

C22H32N6O — CID 110096944

IUPACN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide
SMILESCc1cc(Nc2ccnc(CC3CCC(NC(=O)C4CCCCC4)CC3)n2)n[nH]1
InChIInChI=1S/C22H32N6O/c1-15-13-21(28-27-15)26-19-11-12-23-20(25-19)14-16-7-9-18(10-8-16)24-22(29)17-5-3-2-4-6-17/h11-13,16-18H,2-10,14H2,1H3,(H,24,29)(H2,23,25,26,27,28)
InChIKeyVQEAXIYUXBLKBE-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.05
Rot. Bonds6

About N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide

N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide (PubChem CID 110096944) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide
PubChem CID110096944
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide
SMILESCc1cc(Nc2ccnc(CC3CCC(NC(=O)C4CCCCC4)CC3)n2)n[nH]1
InChIInChI=1S/C22H32N6O/c1-15-13-21(28-27-15)26-19-11-12-23-20(25-19)14-16-7-9-18(10-8-16)24-22(29)17-5-3-2-4-6-17/h11-13,16-18H,2-10,14H2,1H3,(H,24,29)(H2,23,25,26,27,28)
InChIKeyVQEAXIYUXBLKBE-UHFFFAOYSA-N
XLogP4.05
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]acetamide
CID 110096941
N-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]cyclohexyl]cyclopropanecarboxamide
CID 110096693
2-[[4-(3-chloroanilino)cyclohexyl]methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 110097012
(3-chloro-2-fluorophenyl)-[(3R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 124941992
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
1-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propan-2-one
CID 163657998
[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175185632
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124962814
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 155985528
1-(5-cyano-2,3-dihydro-1H-inden-2-yl)-3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]urea
CID 154687364

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide (CID 110096944) is N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide is Cc1cc(Nc2ccnc(CC3CCC(NC(=O)C4CCCCC4)CC3)n2)n[nH]1.
What is the InChIKey of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide?
The InChIKey is VQEAXIYUXBLKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-15-13-21(28-27-15)26-19-11-12-23-20(25-19)14-16-7-9-18(10-8-16)24-22(29)17-5-3-2-4-6-17/h11-13,16-18H,2-10,14H2,1H3,(H,24,29)(H2,23,25,26,27,28).
What are the key properties of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide?
N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]cyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 110096944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).