6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C23H26N8O2 — CID 167922966

IUPAC6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1cncc(-c2cn(C3CCC(C(=O)N4Cc5nc(C6CC6)[nH]c(=O)c5C4)CC3)nn2)c1
InChIInChI=1S/C23H26N8O2/c24-16-7-15(8-25-9-16)19-12-31(29-28-19)17-5-3-14(4-6-17)23(33)30-10-18-20(11-30)26-21(13-1-2-13)27-22(18)32/h7-9,12-14,17H,1-6,10-11,24H2,(H,26,27,32)
InChIKeyXMLKBDHVMNCMNV-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.16
Rot. Bonds4

About 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 167922966) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID167922966
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1cncc(-c2cn(C3CCC(C(=O)N4Cc5nc(C6CC6)[nH]c(=O)c5C4)CC3)nn2)c1
InChIInChI=1S/C23H26N8O2/c24-16-7-15(8-25-9-16)19-12-31(29-28-19)17-5-3-14(4-6-17)23(33)30-10-18-20(11-30)26-21(13-1-2-13)27-22(18)32/h7-9,12-14,17H,1-6,10-11,24H2,(H,26,27,32)
InChIKeyXMLKBDHVMNCMNV-UHFFFAOYSA-N
XLogP2.16
TPSA135.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 167922966) is 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Nc1cncc(-c2cn(C3CCC(C(=O)N4Cc5nc(C6CC6)[nH]c(=O)c5C4)CC3)nn2)c1.
What is the InChIKey of 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is XMLKBDHVMNCMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c24-16-7-15(8-25-9-16)19-12-31(29-28-19)17-5-3-14(4-6-17)23(33)30-10-18-20(11-30)26-21(13-1-2-13)27-22(18)32/h7-9,12-14,17H,1-6,10-11,24H2,(H,26,27,32).
What are the key properties of 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 446.52 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(5-amino-3-pyridinyl)triazol-1-yl]cyclohexanecarbonyl]-2-cyclopropyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 167922966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).