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

C18H19N7O — CID 157058511

IUPAC2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C18H19N7O/c1-10(2)21-16(26)9-25-8-13-12-4-3-11(14-5-6-20-23-14)7-15(12)22-18(19)17(13)24-25/h3-8,10H,9H2,1-2H3,(H2,19,22)(H,20,23)(H,21,26)
InChIKeyABAQCAYNQMUXDZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.08
Rot. Bonds4

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

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide (PubChem CID 157058511) 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[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
PubChem CID157058511
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C18H19N7O/c1-10(2)21-16(26)9-25-8-13-12-4-3-11(14-5-6-20-23-14)7-15(12)22-18(19)17(13)24-25/h3-8,10H,9H2,1-2H3,(H2,19,22)(H,20,23)(H,21,26)
InChIKeyABAQCAYNQMUXDZ-UHFFFAOYSA-N
XLogP2.08
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
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[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide (CID 157058511) is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is ABAQCAYNQMUXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-10(2)21-16(26)9-25-8-13-12-4-3-11(14-5-6-20-23-14)7-15(12)22-18(19)17(13)24-25/h3-8,10H,9H2,1-2H3,(H2,19,22)(H,20,23)(H,21,26).
What are the key properties of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide?
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 349.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 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[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 157058511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).