6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

C25H35N7O4 — CID 121409147

IUPAC6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(Oc3cc(C)cc4c3c(N)nn4C)CC2)nc(O[C@H](C)COC)n1
InChIInChI=1S/C25H35N7O4/c1-6-27-24(33)18-13-21(29-25(28-18)35-16(3)14-34-5)32-9-7-17(8-10-32)36-20-12-15(2)11-19-22(20)23(26)30-31(19)4/h11-13,16-17H,6-10,14H2,1-5H3,(H2,26,30)(H,27,33)/t16-/m1/s1
InChIKeyKSICKEITTPNXIX-MRXNPFEDSA-N
MW497.60 g/mol
LogP2.47
Rot. Bonds9

About 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (PubChem CID 121409147) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
PubChem CID121409147
Molecular FormulaC25H35N7O4
Molecular Weight497.60 g/mol
Exact Mass497.28
IUPAC Name6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(N2CCC(Oc3cc(C)cc4c3c(N)nn4C)CC2)nc(O[C@H](C)COC)n1
InChIInChI=1S/C25H35N7O4/c1-6-27-24(33)18-13-21(29-25(28-18)35-16(3)14-34-5)32-9-7-17(8-10-32)36-20-12-15(2)11-19-22(20)23(26)30-31(19)4/h11-13,16-17H,6-10,14H2,1-5H3,(H2,26,30)(H,27,33)/t16-/m1/s1
InChIKeyKSICKEITTPNXIX-MRXNPFEDSA-N
XLogP2.47
TPSA129.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (CID 121409147) is 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is CCNC(=O)c1cc(N2CCC(Oc3cc(C)cc4c3c(N)nn4C)CC2)nc(O[C@H](C)COC)n1.
What is the InChIKey of 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The InChIKey is KSICKEITTPNXIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H35N7O4/c1-6-27-24(33)18-13-21(29-25(28-18)35-16(3)14-34-5)32-9-7-17(8-10-32)36-20-12-15(2)11-19-22(20)23(26)30-31(19)4/h11-13,16-17H,6-10,14H2,1-5H3,(H2,26,30)(H,27,33)/t16-/m1/s1.
What are the key properties of 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-amino-1,6-dimethylindazol-4-yl)oxypiperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is sourced from PubChem (CID 121409147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).