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

C17H17N7O — CID 159427333

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H17N7O/c1-10(25)19-6-7-24-9-13-16(23-24)12-3-2-11(14-4-5-20-22-14)8-15(12)21-17(13)18/h2-5,8-9H,6-7H2,1H3,(H2,18,21)(H,19,25)(H,20,22)
InChIKeyLQNMGVAZEUFFBM-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.69
Rot. Bonds4

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

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide (PubChem CID 159427333) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
PubChem CID159427333
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C17H17N7O/c1-10(25)19-6-7-24-9-13-16(23-24)12-3-2-11(14-4-5-20-22-14)8-15(12)21-17(13)18/h2-5,8-9H,6-7H2,1H3,(H2,18,21)(H,19,25)(H,20,22)
InChIKeyLQNMGVAZEUFFBM-UHFFFAOYSA-N
XLogP1.69
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.69
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]acetamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide (CID 159427333) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide is CC(=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]acetamide?
The InChIKey is LQNMGVAZEUFFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-10(25)19-6-7-24-9-13-16(23-24)12-3-2-11(14-4-5-20-22-14)8-15(12)21-17(13)18/h2-5,8-9H,6-7H2,1H3,(H2,18,21)(H,19,25)(H,20,22).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 1.69, 4 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]acetamide is sourced from PubChem (CID 159427333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).