6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile

C24H29N7O2 — CID 176919234

IUPAC6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1ccnc(NC2CCC(Oc3cc(N4CCOC(C)C4)cn4ncc(C#N)c34)CC2)n1
InChIInChI=1S/C24H29N7O2/c1-16-7-8-26-24(28-16)29-19-3-5-21(6-4-19)33-22-11-20(30-9-10-32-17(2)14-30)15-31-23(22)18(12-25)13-27-31/h7-8,11,13,15,17,19,21H,3-6,9-10,14H2,1-2H3,(H,26,28,29)
InChIKeyNCTKEOOSHKFLCC-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.33
Rot. Bonds5

About 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 176919234) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID176919234
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1ccnc(NC2CCC(Oc3cc(N4CCOC(C)C4)cn4ncc(C#N)c34)CC2)n1
InChIInChI=1S/C24H29N7O2/c1-16-7-8-26-24(28-16)29-19-3-5-21(6-4-19)33-22-11-20(30-9-10-32-17(2)14-30)15-31-23(22)18(12-25)13-27-31/h7-8,11,13,15,17,19,21H,3-6,9-10,14H2,1-2H3,(H,26,28,29)
InChIKeyNCTKEOOSHKFLCC-UHFFFAOYSA-N
XLogP3.33
TPSA100.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
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
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
6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919279
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-[(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
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
CID 139342811
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
CID 139342829
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 121335854

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 176919234) is 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1ccnc(NC2CCC(Oc3cc(N4CCOC(C)C4)cn4ncc(C#N)c34)CC2)n1.
What is the InChIKey of 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NCTKEOOSHKFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-16-7-8-26-24(28-16)29-19-3-5-21(6-4-19)33-22-11-20(30-9-10-32-17(2)14-30)15-31-23(22)18(12-25)13-27-31/h7-8,11,13,15,17,19,21H,3-6,9-10,14H2,1-2H3,(H,26,28,29).
What are the key properties of 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 447.54 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylmorpholin-4-yl)-4-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]oxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 176919234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).