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

C18H19N7O — CID 170386660

IUPAC2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H19N7O/c1-10(18(26)24(2)3)25-9-13-16(23-25)12-5-4-11(14-6-7-20-22-14)8-15(12)21-17(13)19/h4-10H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyMMAWMSFKLLQVGX-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.21
Rot. Bonds3

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

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide (PubChem CID 170386660) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide
PubChem CID170386660
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C18H19N7O/c1-10(18(26)24(2)3)25-9-13-16(23-25)12-5-4-11(14-6-7-20-22-14)8-15(12)21-17(13)19/h4-10H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyMMAWMSFKLLQVGX-UHFFFAOYSA-N
XLogP2.21
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide (CID 170386660) is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide?
The InChIKey is MMAWMSFKLLQVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-10(18(26)24(2)3)25-9-13-16(23-25)12-5-4-11(14-6-7-20-22-14)8-15(12)21-17(13)19/h4-10H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide?
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide has a molecular weight of 349.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 170386660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).