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

C28H38N8O5 — CID 121409026

IUPAC6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)nc(OC[C@H]2CCCO2)n1
InChIInChI=1S/C28H38N8O5/c1-18(14-37)32-27(38)22-11-25(34-28(33-22)41-16-21-4-3-9-39-21)36-7-5-19(6-8-36)15-40-24-10-20(12-30-26(24)29)23-13-35(2)17-31-23/h10-13,17-19,21,37H,3-9,14-16H2,1-2H3,(H2,29,30)(H,32,38)/t18-,21-/m1/s1
InChIKeyPLLONOZTEWEHHM-WIYYLYMNSA-N
MW566.66 g/mol
LogP1.82
Rot. Bonds11

About 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-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)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (PubChem CID 121409026) has the molecular formula C28H38N8O5 and a molecular weight of 566.66 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)-oxolan-2-yl]methoxy]pyrimidine-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)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
PubChem CID121409026
Molecular FormulaC28H38N8O5
Molecular Weight566.66 g/mol
Exact Mass566.30
IUPAC Name6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)nc(OC[C@H]2CCCO2)n1
InChIInChI=1S/C28H38N8O5/c1-18(14-37)32-27(38)22-11-25(34-28(33-22)41-16-21-4-3-9-39-21)36-7-5-19(6-8-36)15-40-24-10-20(12-30-26(24)29)23-13-35(2)17-31-23/h10-13,17-19,21,37H,3-9,14-16H2,1-2H3,(H2,29,30)(H,32,38)/t18-,21-/m1/s1
InChIKeyPLLONOZTEWEHHM-WIYYLYMNSA-N
XLogP1.82
TPSA162.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 51.82
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)-oxolan-2-yl]methoxy]pyrimidine-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)-oxolan-2-yl]methoxy]pyrimidine-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)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide (CID 121409026) is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidine-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)-oxolan-2-yl]methoxy]pyrimidine-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)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is C[C@H](CO)NC(=O)c1cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)nc(OC[C@H]2CCCO2)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)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide?
The InChIKey is PLLONOZTEWEHHM-WIYYLYMNSA-N. The full InChI is InChI=1S/C28H38N8O5/c1-18(14-37)32-27(38)22-11-25(34-28(33-22)41-16-21-4-3-9-39-21)36-7-5-19(6-8-36)15-40-24-10-20(12-30-26(24)29)23-13-35(2)17-31-23/h10-13,17-19,21,37H,3-9,14-16H2,1-2H3,(H2,29,30)(H,32,38)/t18-,21-/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)-oxolan-2-yl]methoxy]pyrimidine-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)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 1.82, 11 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)-oxolan-2-yl]methoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).