2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide

C27H35N7O2 — CID 110089935

IUPAC2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN(C(=O)CN(C(=O)C(C)(C)C)c3ccccc3)C2)n1
InChIInChI=1S/C27H35N7O2/c1-18-14-24(32-31-18)30-23-15-22(28-19(2)29-23)20-10-9-13-33(16-20)25(35)17-34(26(36)27(3,4)5)21-11-7-6-8-12-21/h6-8,11-12,14-15,20H,9-10,13,16-17H2,1-5H3,(H2,28,29,30,31,32)
InChIKeyMROUJIYDDDBPLJ-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.35
Rot. Bonds6

About 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide

2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide (PubChem CID 110089935) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide
PubChem CID110089935
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN(C(=O)CN(C(=O)C(C)(C)C)c3ccccc3)C2)n1
InChIInChI=1S/C27H35N7O2/c1-18-14-24(32-31-18)30-23-15-22(28-19(2)29-23)20-10-9-13-33(16-20)25(35)17-34(26(36)27(3,4)5)21-11-7-6-8-12-21/h6-8,11-12,14-15,20H,9-10,13,16-17H2,1-5H3,(H2,28,29,30,31,32)
InChIKeyMROUJIYDDDBPLJ-UHFFFAOYSA-N
XLogP4.35
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide with MolForge

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Related Compounds

[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-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
2,2-dimethyl-1-[(3S)-3-[2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124961289
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124961678
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 97004347
cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124962814
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
[(2S)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 95821700

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide (CID 110089935) is 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide is Cc1nc(Nc2cc(C)[nH]n2)cc(C2CCCN(C(=O)CN(C(=O)C(C)(C)C)c3ccccc3)C2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide?
The InChIKey is MROUJIYDDDBPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-18-14-24(32-31-18)30-23-15-22(28-19(2)29-23)20-10-9-13-33(16-20)25(35)17-34(26(36)27(3,4)5)21-11-7-6-8-12-21/h6-8,11-12,14-15,20H,9-10,13,16-17H2,1-5H3,(H2,28,29,30,31,32).
What are the key properties of 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide?
2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide has a molecular weight of 489.62 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[3-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-N-phenylpropanamide is sourced from PubChem (CID 110089935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).