cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone

C23H29N5O2 — CID 110223317

IUPACcyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc3cc(C)nn3c2C2CCCN(C(=O)C3CCCCC3)C2)on1
InChIInChI=1S/C23H29N5O2/c1-15-12-21-24-13-19(20-11-16(2)26-30-20)22(28(21)25-15)18-9-6-10-27(14-18)23(29)17-7-4-3-5-8-17/h11-13,17-18H,3-10,14H2,1-2H3
InChIKeyGGKSDXBSMQJNGQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.29
Rot. Bonds3

About cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone

cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (PubChem CID 110223317) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
PubChem CID110223317
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Namecyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc3cc(C)nn3c2C2CCCN(C(=O)C3CCCCC3)C2)on1
InChIInChI=1S/C23H29N5O2/c1-15-12-21-24-13-19(20-11-16(2)26-30-20)22(28(21)25-15)18-9-6-10-27(14-18)23(29)17-7-4-3-5-8-17/h11-13,17-18H,3-10,14H2,1-2H3
InChIKeyGGKSDXBSMQJNGQ-UHFFFAOYSA-N
XLogP4.29
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3S)-3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetate
CID 95803504
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
N-(3-ethoxypropyl)-2-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
CID 46950870
cyclopentyl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 92554719
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
[(3R)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 136798263
tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 125434626
1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110225718
cyclopentyl-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 90628304
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134803876
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (CID 110223317) is cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc3cc(C)nn3c2C2CCCN(C(=O)C3CCCCC3)C2)on1.
What is the InChIKey of cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The InChIKey is GGKSDXBSMQJNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-12-21-24-13-19(20-11-16(2)26-30-20)22(28(21)25-15)18-9-6-10-27(14-18)23(29)17-7-4-3-5-8-17/h11-13,17-18H,3-10,14H2,1-2H3.
What are the key properties of cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone has a molecular weight of 407.52 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110223317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).