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

C19H22N6O2 — CID 91799394

IUPAC8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1nccc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2
InChIInChI=1S/C19H22N6O2/c1-12-23-16(14-5-8-27-10-14)17-18(21-11-22-25(12)17)24-7-4-13-3-6-20-19(26-2)15(13)9-24/h3,6,11,14H,4-5,7-10H2,1-2H3/t14-/m1/s1
InChIKeyKQIINWUTTOWGNK-CQSZACIVSA-N
MW366.43 g/mol
LogP1.90
Rot. Bonds3

About 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine

8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 91799394) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID91799394
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1nccc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2
InChIInChI=1S/C19H22N6O2/c1-12-23-16(14-5-8-27-10-14)17-18(21-11-22-25(12)17)24-7-4-13-3-6-20-19(26-2)15(13)9-24/h3,6,11,14H,4-5,7-10H2,1-2H3/t14-/m1/s1
InChIKeyKQIINWUTTOWGNK-CQSZACIVSA-N
XLogP1.90
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine (CID 91799394) is 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine is COc1nccc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2.
What is the InChIKey of 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is KQIINWUTTOWGNK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-23-16(14-5-8-27-10-14)17-18(21-11-22-25(12)17)24-7-4-13-3-6-20-19(26-2)15(13)9-24/h3,6,11,14H,4-5,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine?
8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 366.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 91799394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).