2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

C76H78ClN25O9 — CID 158636977

About 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 158636977) has the molecular formula C76H78ClN25O9 and a molecular weight of 1521.08 g/mol. Its IUPAC name is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
• PubChem CID: 158636977
• Molecular Formula: C76H78ClN25O9
• Molecular Weight: 1521.08 g/mol
• Exact Mass: 1519.61
• IUPAC Name: 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
• SMILES: CCOC(=O)CCl.CCOC(=O)Cn1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2n1.CN(C)C(=O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CC(=O)O)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12
• InChI: InChI=1S/C22H24N6O3.C18H18N6O.C17H17N7O.C15H12N6O2.C4H7ClO2/c1-2-30-20(29)13-27-12-16-21(26-27)15-7-6-14(11-17(15)25-22(16)23)18-8-9-24-28(18)19-5-3-4-10-31-19;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-23(2)15(25)9-24-8-12-16(22-24)11-4-3-10(13-5-6-19-21-13)7-14(11)20-17(12)18;16-15-10-6-21(7-13(22)23)20-14(10)9-2-1-8(5-12(9)18-15)11-3-4-17-19-11;1-2-7-4(6)3-5/h6-9,11-12,19H,2-5,10,13H2,1H3,(H2,23,25);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);3-8H,9H2,1-2H3,(H2,18,20)(H,19,21);1-6H,7H2,(H2,16,18)(H,17,19)(H,22,23);2-3H2,1H3
• InChIKey: HZWVHHOORZPDDH-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 459.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1521.08
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

The IUPAC name of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 158636977) is 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

The canonical SMILES for 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is CCOC(=O)CCl.CCOC(=O)Cn1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2n1.CN(C)C(=O)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CC(=O)O)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.

What is the InChIKey of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

The InChIKey is HZWVHHOORZPDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3.C18H18N6O.C17H17N7O.C15H12N6O2.C4H7ClO2/c1-2-30-20(29)13-27-12-16-21(26-27)15-7-6-14(11-17(15)25-22(16)23)18-8-9-24-28(18)19-5-3-4-10-31-19;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-23(2)15(25)9-24-8-12-16(22-24)11-4-3-10(13-5-6-19-21-13)7-14(11)20-17(12)18;16-15-10-6-21(7-13(22)23)20-14(10)9-2-1-8(5-12(9)18-15)11-3-4-17-19-11;1-2-7-4(6)3-5/h6-9,11-12,19H,2-5,10,13H2,1H3,(H2,23,25);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);3-8H,9H2,1-2H3,(H2,18,20)(H,19,21);1-6H,7H2,(H2,16,18)(H,17,19)(H,22,23);2-3H2,1H3.

What are the key properties of 2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?

2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 1521.08 g/mol, XLogP of 10.62, 15 rotatable bonds, 8 hydrogen bond donors, and 29 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]acetic acid;2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylacetamide;ethyl 2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-2-yl]acetate;ethyl 2-chloroacetate;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 158636977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).