6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile

C24H26N6O3 — CID 176919279

IUPAC6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=C1CC(OC)CN1c1cc(OC2CCC(Oc3ncccn3)CC2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H26N6O3/c1-16-10-21(31-2)15-29(16)18-11-22(23-17(12-25)13-28-30(23)14-18)32-19-4-6-20(7-5-19)33-24-26-8-3-9-27-24/h3,8-9,11,13-14,19-21H,1,4-7,10,15H2,2H3
InChIKeyKYWATXZYFMMONQ-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.50
Rot. Bonds6

About 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176919279) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID176919279
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=C1CC(OC)CN1c1cc(OC2CCC(Oc3ncccn3)CC2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H26N6O3/c1-16-10-21(31-2)15-29(16)18-11-22(23-17(12-25)13-28-30(23)14-18)32-19-4-6-20(7-5-19)33-24-26-8-3-9-27-24/h3,8-9,11,13-14,19-21H,1,4-7,10,15H2,2H3
InChIKeyKYWATXZYFMMONQ-UHFFFAOYSA-N
XLogP3.50
TPSA97.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919234
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
4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile
CID 138644006
4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920615
6-bromo-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921021
6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 152945441
4-[4-[(6-methoxypyridazin-3-yl)amino]cyclohexyl]oxy-6-(3-oxabicyclo[4.1.0]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919275
1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
CID 139331510
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176919279) is 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile is C=C1CC(OC)CN1c1cc(OC2CCC(Oc3ncccn3)CC2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KYWATXZYFMMONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-10-21(31-2)15-29(16)18-11-22(23-17(12-25)13-28-30(23)14-18)32-19-4-6-20(7-5-19)33-24-26-8-3-9-27-24/h3,8-9,11,13-14,19-21H,1,4-7,10,15H2,2H3.
What are the key properties of 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176919279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).