8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile

C26H32N6O3 — CID 176919288

IUPAC8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile
SMILESCOC1C=NC(NC2CCC(Oc3cc(N4CC5CCC(C4)O5)cn4ccc(C#N)c34)CC2)=NC1
InChIInChI=1S/C26H32N6O3/c1-33-23-12-28-26(29-13-23)30-18-2-4-20(5-3-18)35-24-10-19(14-31-9-8-17(11-27)25(24)31)32-15-21-6-7-22(16-32)34-21/h8-10,12,14,18,20-23H,2-7,13,15-16H2,1H3,(H,29,30)
InChIKeyVDZUIGLMHOWCMR-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.91
Rot. Bonds5

About 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile

8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile (PubChem CID 176919288) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile.

Molecular Properties

Compound Name8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile
PubChem CID176919288
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile
SMILESCOC1C=NC(NC2CCC(Oc3cc(N4CC5CCC(C4)O5)cn4ccc(C#N)c34)CC2)=NC1
InChIInChI=1S/C26H32N6O3/c1-33-23-12-28-26(29-13-23)30-18-2-4-20(5-3-18)35-24-10-19(14-31-9-8-17(11-27)25(24)31)32-15-21-6-7-22(16-32)34-21/h8-10,12,14,18,20-23H,2-7,13,15-16H2,1H3,(H,29,30)
InChIKeyVDZUIGLMHOWCMR-UHFFFAOYSA-N
XLogP2.91
TPSA95.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile with MolForge

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Related Compounds

4-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919262
6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919221
2-[[4-[3-cyano-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridin-4-yl]oxycyclohexyl]amino]-N-methylpyrimidine-4-carboxamide
CID 176919261
4-[4-[1-[(Z)-[(Z)-3-aminoprop-2-enylidene]amino]ethoxy]cyclohexyl]oxy-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919281
6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919234
8-cycloheptyloxy-1-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoxalin-2-one
CID 139342863
2-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzonitrile
CID 113295742
5-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzonitrile
CID 107927608
6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919279
1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
CID 139331510
4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile
CID 138644006
1-cyclopropyl-3-[4-[1-(4-methoxycyclohexyl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 57424565

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile?
The IUPAC name of 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile (CID 176919288) is 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile.
What is the SMILES notation for 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile?
The canonical SMILES for 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile is COC1C=NC(NC2CCC(Oc3cc(N4CC5CCC(C4)O5)cn4ccc(C#N)c34)CC2)=NC1.
What is the InChIKey of 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile?
The InChIKey is VDZUIGLMHOWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-33-23-12-28-26(29-13-23)30-18-2-4-20(5-3-18)35-24-10-19(14-31-9-8-17(11-27)25(24)31)32-15-21-6-7-22(16-32)34-21/h8-10,12,14,18,20-23H,2-7,13,15-16H2,1H3,(H,29,30).
What are the key properties of 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile?
8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile has a molecular weight of 476.58 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(5-methoxy-4,5-dihydropyrimidin-2-yl)amino]cyclohexyl]oxy-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)indolizine-1-carbonitrile is sourced from PubChem (CID 176919288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).