8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine

C19H17FN9O+ — CID 178009435

IUPAC8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Oc1ncc(C2=C(F)C3=CC=N[NH+]3C=C2)c2ncnc(N)c12)c1ncn(C)n1
InChIInChI=1S/C19H16FN9O/c1-10(18-25-9-28(2)27-18)30-19-14-16(23-8-24-17(14)21)12(7-22-19)11-4-6-29-13(15(11)20)3-5-26-29/h3-10H,1-2H3,(H2,21,23,24)/p+1/t10-/m1/s1
InChIKeyMZKVFIGYYXYJAY-SNVBAGLBSA-O
MW406.41 g/mol
LogP0.85
Rot. Bonds4

About 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine

8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 178009435) has the molecular formula C19H17FN9O+ and a molecular weight of 406.41 g/mol. Its IUPAC name is 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID178009435
Molecular FormulaC19H17FN9O+
Molecular Weight406.41 g/mol
Exact Mass406.15
IUPAC Name8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine
SMILESC[C@@H](Oc1ncc(C2=C(F)C3=CC=N[NH+]3C=C2)c2ncnc(N)c12)c1ncn(C)n1
InChIInChI=1S/C19H16FN9O/c1-10(18-25-9-28(2)27-18)30-19-14-16(23-8-24-17(14)21)12(7-22-19)11-4-6-29-13(15(11)20)3-5-26-29/h3-10H,1-2H3,(H2,21,23,24)/p+1/t10-/m1/s1
InChIKeyMZKVFIGYYXYJAY-SNVBAGLBSA-O
XLogP0.85
TPSA121.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

8-bromo-5-[(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethoxy]-7-methoxyquinazolin-4-amine
CID 178009256
3-(1-methoxyethyl)-1-methyl-1,2,4-triazole
CID 175359877
8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine
CID 178009496
8-bromo-5-[1-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-5-yl)ethoxy]-7-fluoroquinazolin-4-amine
CID 178009365
6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one
CID 178009553
8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009446
2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine
CID 58158224
(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 96637208
3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269231
3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 144983828
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine (CID 178009435) is 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine is C[C@@H](Oc1ncc(C2=C(F)C3=CC=N[NH+]3C=C2)c2ncnc(N)c12)c1ncn(C)n1.
What is the InChIKey of 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is MZKVFIGYYXYJAY-SNVBAGLBSA-O. The full InChI is InChI=1S/C19H16FN9O/c1-10(18-25-9-28(2)27-18)30-19-14-16(23-8-24-17(14)21)12(7-22-19)11-4-6-29-13(15(11)20)3-5-26-29/h3-10H,1-2H3,(H2,21,23,24)/p+1/t10-/m1/s1.
What are the key properties of 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine?
8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 406.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-8H-pyrazolo[1,5-a]pyridin-8-ium-5-yl)-5-[(1R)-1-(1-methyl-1,2,4-triazol-3-yl)ethoxy]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 178009435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).