[(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C22H30N4O3 — CID 90295091

IUPAC[(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCN(c2cc3c(cn2)COC(C)(C)C3)C[C@H]1C(C)C
InChIInChI=1S/C22H30N4O3/c1-14(2)18-11-25(6-7-26(18)21(27)20-15(3)24-13-28-20)19-8-16-9-22(4,5)29-12-17(16)10-23-19/h8,10,13-14,18H,6-7,9,11-12H2,1-5H3/t18-/m0/s1
InChIKeyBYEJPHIPBBDIOK-SFHVURJKSA-N
MW398.51 g/mol
LogP3.22
Rot. Bonds3

About [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 90295091) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID90295091
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCN(c2cc3c(cn2)COC(C)(C)C3)C[C@H]1C(C)C
InChIInChI=1S/C22H30N4O3/c1-14(2)18-11-25(6-7-26(18)21(27)20-15(3)24-13-28-20)19-8-16-9-22(4,5)29-12-17(16)10-23-19/h8,10,13-14,18H,6-7,9,11-12H2,1-5H3/t18-/m0/s1
InChIKeyBYEJPHIPBBDIOK-SFHVURJKSA-N
XLogP3.22
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 90295091) is [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCN(c2cc3c(cn2)COC(C)(C)C3)C[C@H]1C(C)C.
What is the InChIKey of [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is BYEJPHIPBBDIOK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-14(2)18-11-25(6-7-26(18)21(27)20-15(3)24-13-28-20)19-8-16-9-22(4,5)29-12-17(16)10-23-19/h8,10,13-14,18H,6-7,9,11-12H2,1-5H3/t18-/m0/s1.
What are the key properties of [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-2-propan-2-ylpiperazin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 90295091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).