7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

C19H18FN7O2S — CID 52919209

IUPAC7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)s2)c2nnn(Cc3ccc(COC4CCOC4)cn3)c2n1
InChIInChI=1S/C19H18FN7O2S/c20-15-4-3-14(30-15)16-17-18(24-19(21)23-16)27(26-25-17)8-12-2-1-11(7-22-12)9-29-13-5-6-28-10-13/h1-4,7,13H,5-6,8-10H2,(H2,21,23,24)
InChIKeyYQJXEKVBCLCKKR-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.42
Rot. Bonds6

About 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 52919209) has the molecular formula C19H18FN7O2S and a molecular weight of 427.47 g/mol. Its IUPAC name is 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID52919209
Molecular FormulaC19H18FN7O2S
Molecular Weight427.47 g/mol
Exact Mass427.12
IUPAC Name7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)s2)c2nnn(Cc3ccc(COC4CCOC4)cn3)c2n1
InChIInChI=1S/C19H18FN7O2S/c20-15-4-3-14(30-15)16-17-18(24-19(21)23-16)27(26-25-17)8-12-2-1-11(7-22-12)9-29-13-5-6-28-10-13/h1-4,7,13H,5-6,8-10H2,(H2,21,23,24)
InChIKeyYQJXEKVBCLCKKR-UHFFFAOYSA-N
XLogP2.42
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135912646
2-Fluoro-1'-[[3-methyl-1-[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268563
2-Fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268586
2-fluoro-1'-[[1-[3-(1H-imidazol-2-yl)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268590
2-[[6-Fluoro-4-[2-[5-fluoro-2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophen-7-yl]-3-pyridinyl]methoxy]ethanol
CID 59332492
1-[2-(3-Methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542340
3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]-7-[5-(trifluoromethyl)-1H-pyrrol-2-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 52918845
3-[[5-(Oxolan-3-yloxymethyl)-2-pyridinyl]methyl]-7-[5-(trifluoromethoxy)thiophen-2-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 52919475
7-(4-fluoro-1H-pyrazol-5-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 52919726
3-[[6-(Oxolan-3-yloxymethyl)-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 44552754
3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 66718484
2-Fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine];formaldehyde
CID 144187949

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (CID 52919209) is 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2ccc(F)s2)c2nnn(Cc3ccc(COC4CCOC4)cn3)c2n1.
What is the InChIKey of 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is YQJXEKVBCLCKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2S/c20-15-4-3-14(30-15)16-17-18(24-19(21)23-16)27(26-25-17)8-12-2-1-11(7-22-12)9-29-13-5-6-28-10-13/h1-4,7,13H,5-6,8-10H2,(H2,21,23,24).
What are the key properties of 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 427.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 52919209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).