[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C19H21N5O2 — CID 92554309

IUPAC[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2ccncc2)on1
InChIInChI=1S/C19H21N5O2/c1-13-11-17(26-22-13)15-12-23(2)21-18(15)16-5-3-4-10-24(16)19(25)14-6-8-20-9-7-14/h6-9,11-12,16H,3-5,10H2,1-2H3/t16-/m1/s1
InChIKeySGNWPWQULVWBMJ-MRXNPFEDSA-N
MW351.41 g/mol
LogP3.15
Rot. Bonds3

About [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 92554309) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID92554309
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2ccncc2)on1
InChIInChI=1S/C19H21N5O2/c1-13-11-17(26-22-13)15-12-23(2)21-18(15)16-5-3-4-10-24(16)19(25)14-6-8-20-9-7-14/h6-9,11-12,16H,3-5,10H2,1-2H3/t16-/m1/s1
InChIKeySGNWPWQULVWBMJ-MRXNPFEDSA-N
XLogP3.15
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92590513
2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554252
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 92554313
1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 92554277
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 110236249
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554279
[2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110214471
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
[4-(ethoxymethyl)phenyl]-[2-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110243415

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 92554309) is [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2ccncc2)on1.
What is the InChIKey of [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is SGNWPWQULVWBMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-11-17(26-22-13)15-12-23(2)21-18(15)16-5-3-4-10-24(16)19(25)14-6-8-20-9-7-14/h6-9,11-12,16H,3-5,10H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 92554309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).