N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide

C19H20FN7O — CID 158582254

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H20FN7O/c1-19(2,20)18(28)22-7-8-27-10-13-16(26-27)12-4-3-11(14-5-6-23-25-14)9-15(12)24-17(13)21/h3-6,9-10H,7-8H2,1-2H3,(H2,21,24)(H,22,28)(H,23,25)
InChIKeyHTJYFUGUACBVIH-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.42
Rot. Bonds5

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide (PubChem CID 158582254) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide
PubChem CID158582254
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H20FN7O/c1-19(2,20)18(28)22-7-8-27-10-13-16(26-27)12-4-3-11(14-5-6-23-25-14)9-15(12)24-17(13)21/h3-6,9-10H,7-8H2,1-2H3,(H2,21,24)(H,22,28)(H,23,25)
InChIKeyHTJYFUGUACBVIH-UHFFFAOYSA-N
XLogP2.42
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide (CID 158582254) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
The InChIKey is HTJYFUGUACBVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-19(2,20)18(28)22-7-8-27-10-13-16(26-27)12-4-3-11(14-5-6-23-25-14)9-15(12)24-17(13)21/h3-6,9-10H,7-8H2,1-2H3,(H2,21,24)(H,22,28)(H,23,25).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide has a molecular weight of 381.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 158582254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).