(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone

C22H22FN7O3 — CID 164536929

IUPAC(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
SMILESCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)nn1
InChIInChI=1S/C22H22FN7O3/c1-11-9-33-10-18(16-4-5-19(32-3)28-27-16)30(11)22(31)13-6-12-14-8-25-29(2)20(14)21(24)26-17(12)7-15(13)23/h4-8,11,18H,9-10H2,1-3H3,(H2,24,26)/t11-,18-/m1/s1
InChIKeyGYNUIIODIDRVAO-ADLMAVQZSA-N
MW451.46 g/mol
LogP2.24
Rot. Bonds3

About (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone

(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone (PubChem CID 164536929) has the molecular formula C22H22FN7O3 and a molecular weight of 451.46 g/mol. Its IUPAC name is (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
PubChem CID164536929
Molecular FormulaC22H22FN7O3
Molecular Weight451.46 g/mol
Exact Mass451.18
IUPAC Name(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone
SMILESCOc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)nn1
InChIInChI=1S/C22H22FN7O3/c1-11-9-33-10-18(16-4-5-19(32-3)28-27-16)30(11)22(31)13-6-12-14-8-25-29(2)20(14)21(24)26-17(12)7-15(13)23/h4-8,11,18H,9-10H2,1-3H3,(H2,24,26)/t11-,18-/m1/s1
InChIKeyGYNUIIODIDRVAO-ADLMAVQZSA-N
XLogP2.24
TPSA121.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone (CID 164536929) is (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone is COc1ccc([C@H]2COC[C@@H](C)N2C(=O)c2cc3c(cc2F)nc(N)c2c3cnn2C)nn1.
What is the InChIKey of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is GYNUIIODIDRVAO-ADLMAVQZSA-N. The full InChI is InChI=1S/C22H22FN7O3/c1-11-9-33-10-18(16-4-5-19(32-3)28-27-16)30(11)22(31)13-6-12-14-8-25-29(2)20(14)21(24)26-17(12)7-15(13)23/h4-8,11,18H,9-10H2,1-3H3,(H2,24,26)/t11-,18-/m1/s1.
What are the key properties of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone?
(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 451.46 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S,5R)-3-(6-methoxypyridazin-3-yl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 164536929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).