(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone

C21H18F3N7O3 — CID 164536913

IUPAC(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone
SMILESCn1ncc2c3cc(C(=O)N4CCOC[C@@H]4c4ccc(OC(F)F)nn4)c(F)cc3nc(N)c21
InChIInChI=1S/C21H18F3N7O3/c1-30-18-12(8-26-30)10-6-11(13(22)7-15(10)27-19(18)25)20(32)31-4-5-33-9-16(31)14-2-3-17(29-28-14)34-21(23)24/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,25,27)/t16-/m1/s1
InChIKeyDZJBTLCZABELIU-MRXNPFEDSA-N
MW473.42 g/mol
LogP2.45
Rot. Bonds4

About (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone

(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone (PubChem CID 164536913) has the molecular formula C21H18F3N7O3 and a molecular weight of 473.42 g/mol. Its IUPAC name is (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone
PubChem CID164536913
Molecular FormulaC21H18F3N7O3
Molecular Weight473.42 g/mol
Exact Mass473.14
IUPAC Name(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone
SMILESCn1ncc2c3cc(C(=O)N4CCOC[C@@H]4c4ccc(OC(F)F)nn4)c(F)cc3nc(N)c21
InChIInChI=1S/C21H18F3N7O3/c1-30-18-12(8-26-30)10-6-11(13(22)7-15(10)27-19(18)25)20(32)31-4-5-33-9-16(31)14-2-3-17(29-28-14)34-21(23)24/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,25,27)/t16-/m1/s1
InChIKeyDZJBTLCZABELIU-MRXNPFEDSA-N
XLogP2.45
TPSA121.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone?
The IUPAC name of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone (CID 164536913) is (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone is Cn1ncc2c3cc(C(=O)N4CCOC[C@@H]4c4ccc(OC(F)F)nn4)c(F)cc3nc(N)c21.
What is the InChIKey of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone?
The InChIKey is DZJBTLCZABELIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H18F3N7O3/c1-30-18-12(8-26-30)10-6-11(13(22)7-15(10)27-19(18)25)20(32)31-4-5-33-9-16(31)14-2-3-17(29-28-14)34-21(23)24/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,25,27)/t16-/m1/s1.
What are the key properties of (4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone?
(4-amino-7-fluoro-3-methylpyrazolo[5,4-c]quinolin-8-yl)-[(3S)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone has a molecular weight of 473.42 g/mol, XLogP of 2.45, 4 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)-3-[6-(difluoromethoxy)pyridazin-3-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 164536913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).