6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

C27H38N8O5 — CID 121409215

IUPAC6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1
InChIInChI=1S/C27H38N8O5/c1-17(13-36)31-26(37)21-10-24(33-27(32-21)40-18(2)14-38-4)35-7-5-19(6-8-35)15-39-23-9-20(11-29-25(23)28)22-12-34(3)16-30-22/h9-12,16-19,36H,5-8,13-15H2,1-4H3,(H2,28,29)(H,31,37)/t17-,18-/m1/s1
InChIKeyLBGIZHDPUDYAGK-QZTJIDSGSA-N
MW554.65 g/mol
LogP1.67
Rot. Bonds12

About 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (PubChem CID 121409215) has the molecular formula C27H38N8O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
PubChem CID121409215
Molecular FormulaC27H38N8O5
Molecular Weight554.65 g/mol
Exact Mass554.30
IUPAC Name6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1
InChIInChI=1S/C27H38N8O5/c1-17(13-36)31-26(37)21-10-24(33-27(32-21)40-18(2)14-38-4)35-7-5-19(6-8-35)15-39-23-9-20(11-29-25(23)28)22-12-34(3)16-30-22/h9-12,16-19,36H,5-8,13-15H2,1-4H3,(H2,28,29)(H,31,37)/t17-,18-/m1/s1
InChIKeyLBGIZHDPUDYAGK-QZTJIDSGSA-N
XLogP1.67
TPSA162.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (CID 121409215) is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is COC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1.
What is the InChIKey of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The InChIKey is LBGIZHDPUDYAGK-QZTJIDSGSA-N. The full InChI is InChI=1S/C27H38N8O5/c1-17(13-36)31-26(37)21-10-24(33-27(32-21)40-18(2)14-38-4)35-7-5-19(6-8-35)15-39-23-9-20(11-29-25(23)28)22-12-34(3)16-30-22/h9-12,16-19,36H,5-8,13-15H2,1-4H3,(H2,28,29)(H,31,37)/t17-,18-/m1/s1.
What are the key properties of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide has a molecular weight of 554.65 g/mol, XLogP of 1.67, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is sourced from PubChem (CID 121409215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).