N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide

C18H19FN8O — CID 155679560

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H19FN8O/c1-18(2,19)17(28)21-7-8-27-25-14-11-4-3-10(12-5-6-22-24-12)9-13(11)23-16(20)15(14)26-27/h3-6,9H,7-8H2,1-2H3,(H2,20,23)(H,21,28)(H,22,24)
InChIKeyHPMCXLFUMDCUQZ-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.82
Rot. Bonds5

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide

N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide (PubChem CID 155679560) has the molecular formula C18H19FN8O and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide
PubChem CID155679560
Molecular FormulaC18H19FN8O
Molecular Weight382.40 g/mol
Exact Mass382.17
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H19FN8O/c1-18(2,19)17(28)21-7-8-27-25-14-11-4-3-10(12-5-6-22-24-12)9-13(11)23-16(20)15(14)26-27/h3-6,9H,7-8H2,1-2H3,(H2,20,23)(H,21,28)(H,22,24)
InChIKeyHPMCXLFUMDCUQZ-UHFFFAOYSA-N
XLogP1.82
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide (CID 155679560) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
The InChIKey is HPMCXLFUMDCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN8O/c1-18(2,19)17(28)21-7-8-27-25-14-11-4-3-10(12-5-6-22-24-12)9-13(11)23-16(20)15(14)26-27/h3-6,9H,7-8H2,1-2H3,(H2,20,23)(H,21,28)(H,22,24).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide has a molecular weight of 382.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 155679560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).