[(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C23H25N7O2 — CID 24965290

IUPAC[(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1
InChIInChI=1S/C23H25N7O2/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
InChIKeyLCOLPIYEEOVJIY-QGZVFWFLSA-N
MW431.50 g/mol
LogP3.16
Rot. Bonds3

About [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 24965290) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID24965290
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name[(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1
InChIInChI=1S/C23H25N7O2/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
InChIKeyLCOLPIYEEOVJIY-QGZVFWFLSA-N
XLogP3.16
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 24965290) is [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1.
What is the InChIKey of [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is LCOLPIYEEOVJIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1.
What are the key properties of [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 431.50 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-methyl-4-(5-methylfuro[2,3-d]pyrimidin-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 24965290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).