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

C25H28N8O3 — CID 176919261

IUPAC2-[[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
SMILESCNC(=O)c1ccnc(NC2CCC(Oc3cc(N4CC5CC(C4)O5)cn4ncc(C#N)c34)CC2)n1
InChIInChI=1S/C25H28N8O3/c1-27-24(34)21-6-7-28-25(31-21)30-16-2-4-18(5-3-16)36-22-8-17(32-13-19-9-20(14-32)35-19)12-33-23(22)15(10-26)11-29-33/h6-8,11-12,16,18-20H,2-5,9,13-14H2,1H3,(H,27,34)(H,28,30,31)
InChIKeyGHTNEMHPSSHEKK-UHFFFAOYSA-N
MW488.55 g/mol
LogP2.14
Rot. Bonds6

About 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

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 (PubChem CID 176919261) has the molecular formula C25H28N8O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID176919261
Molecular FormulaC25H28N8O3
Molecular Weight488.55 g/mol
Exact Mass488.23
IUPAC Name2-[[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
SMILESCNC(=O)c1ccnc(NC2CCC(Oc3cc(N4CC5CC(C4)O5)cn4ncc(C#N)c34)CC2)n1
InChIInChI=1S/C25H28N8O3/c1-27-24(34)21-6-7-28-25(31-21)30-16-2-4-18(5-3-16)36-22-8-17(32-13-19-9-20(14-32)35-19)12-33-23(22)15(10-26)11-29-33/h6-8,11-12,16,18-20H,2-5,9,13-14H2,1H3,(H,27,34)(H,28,30,31)
InChIKeyGHTNEMHPSSHEKK-UHFFFAOYSA-N
XLogP2.14
TPSA129.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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
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
N-methyl-2-[[4-(4-methyl-7-morpholin-4-yl-3-oxoquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carboxamide
CID 139342811
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
6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919279
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
1-methyl-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-2-one
CID 139331510
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1ccnc(NC2CCC(Oc3cc(N4CC5CC(C4)O5)cn4ncc(C#N)c34)CC2)n1.
What is the InChIKey of 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?
The InChIKey is GHTNEMHPSSHEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3/c1-27-24(34)21-6-7-28-25(31-21)30-16-2-4-18(5-3-16)36-22-8-17(32-13-19-9-20(14-32)35-19)12-33-23(22)15(10-26)11-29-33/h6-8,11-12,16,18-20H,2-5,9,13-14H2,1H3,(H,27,34)(H,28,30,31).
What are the key properties of 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?
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 has a molecular weight of 488.55 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176919261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).