6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline

C20H23N5O2 — CID 91799424

IUPAC6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2
InChIInChI=1S/C20H23N5O2/c1-13-23-18(16-6-8-27-11-16)19-20(21-12-22-25(13)19)24-7-5-14-9-17(26-2)4-3-15(14)10-24/h3-4,9,12,16H,5-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyPSRFQVGJFPAKQT-MRXNPFEDSA-N
MW365.44 g/mol
LogP2.51
Rot. Bonds3

About 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline

6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 91799424) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID91799424
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2
InChIInChI=1S/C20H23N5O2/c1-13-23-18(16-6-8-27-11-16)19-20(21-12-22-25(13)19)24-7-5-14-9-17(26-2)4-3-15(14)10-24/h3-4,9,12,16H,5-8,10-11H2,1-2H3/t16-/m1/s1
InChIKeyPSRFQVGJFPAKQT-MRXNPFEDSA-N
XLogP2.51
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 91799424) is 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2.
What is the InChIKey of 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is PSRFQVGJFPAKQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-23-18(16-6-8-27-11-16)19-20(21-12-22-25(13)19)24-7-5-14-9-17(26-2)4-3-15(14)10-24/h3-4,9,12,16H,5-8,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 365.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 91799424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).