3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine

C23H30ClN7O3 — CID 121409227

IUPAC3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
SMILESCOC[C@@H](C)Oc1nc(Cl)cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1
InChIInChI=1S/C23H30ClN7O3/c1-15(12-32-3)34-23-28-20(24)9-21(29-23)31-6-4-16(5-7-31)13-33-19-8-17(10-26-22(19)25)18-11-30(2)14-27-18/h8-11,14-16H,4-7,12-13H2,1-3H3,(H2,25,26)/t15-/m1/s1
InChIKeyQNSFENIYIGCSOQ-OAHLLOKOSA-N
MW487.99 g/mol
LogP3.22
Rot. Bonds9

About 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine

3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine (PubChem CID 121409227) has the molecular formula C23H30ClN7O3 and a molecular weight of 487.99 g/mol. Its IUPAC name is 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
PubChem CID121409227
Molecular FormulaC23H30ClN7O3
Molecular Weight487.99 g/mol
Exact Mass487.21
IUPAC Name3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
SMILESCOC[C@@H](C)Oc1nc(Cl)cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1
InChIInChI=1S/C23H30ClN7O3/c1-15(12-32-3)34-23-28-20(24)9-21(29-23)31-6-4-16(5-7-31)13-33-19-8-17(10-26-22(19)25)18-11-30(2)14-27-18/h8-11,14-16H,4-7,12-13H2,1-3H3,(H2,25,26)/t15-/m1/s1
InChIKeyQNSFENIYIGCSOQ-OAHLLOKOSA-N
XLogP3.22
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide
CID 145103441
6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 121409186
6-[4-[[2-amino-5-(1,5-dimethyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
CID 121408998
methyl 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazine-2-carboxylate
CID 121409060
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(1-ethynylcyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
CID 126680749
4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-N-propan-2-yl-1,3,5-triazine-2-carboxamide;(3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone;(3-hydroxyazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 158262665
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
CID 54579007
3-[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;methanamine;2-[(2R)-1-methoxypropan-2-yl]oxy-N-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;methyl 2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 161112323
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
5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine
CID 121409554
cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 159339687
[1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanol
CID 58688137

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine (CID 121409227) is 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine is COC[C@@H](C)Oc1nc(Cl)cc(N2CCC(COc3cc(-c4cn(C)cn4)cnc3N)CC2)n1.
What is the InChIKey of 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
The InChIKey is QNSFENIYIGCSOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30ClN7O3/c1-15(12-32-3)34-23-28-20(24)9-21(29-23)31-6-4-16(5-7-31)13-33-19-8-17(10-26-22(19)25)18-11-30(2)14-27-18/h8-11,14-16H,4-7,12-13H2,1-3H3,(H2,25,26)/t15-/m1/s1.
What are the key properties of 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine has a molecular weight of 487.99 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[6-chloro-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]methoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 121409227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).