[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

C19H21F2N5O2 — CID 92599322

IUPAC[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1noc2nc([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)cc(C(F)F)c12
InChIInChI=1S/C19H21F2N5O2/c1-10-16-13(17(20)21)7-15(23-18(16)28-24-10)12-5-4-6-26(9-12)19(27)14-8-22-25(3)11(14)2/h7-8,12,17H,4-6,9H2,1-3H3/t12-/m1/s1
InChIKeyKGPYRMHTPGYGTP-GFCCVEGCSA-N
MW389.41 g/mol
LogP3.53
Rot. Bonds3

About [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 92599322) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID92599322
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1noc2nc([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)cc(C(F)F)c12
InChIInChI=1S/C19H21F2N5O2/c1-10-16-13(17(20)21)7-15(23-18(16)28-24-10)12-5-4-6-26(9-12)19(27)14-8-22-25(3)11(14)2/h7-8,12,17H,4-6,9H2,1-3H3/t12-/m1/s1
InChIKeyKGPYRMHTPGYGTP-GFCCVEGCSA-N
XLogP3.53
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (CID 92599322) is [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is Cc1noc2nc([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)cc(C(F)F)c12.
What is the InChIKey of [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is KGPYRMHTPGYGTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-10-16-13(17(20)21)7-15(23-18(16)28-24-10)12-5-4-6-26(9-12)19(27)14-8-22-25(3)11(14)2/h7-8,12,17H,4-6,9H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 389.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 92599322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).