[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C26H24FN5O2 — CID 164798449

IUPAC[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3C[C@H](c4ccc(F)cc4)[C@@H](c4ccn[nH]4)C3)cc21
InChIInChI=1S/C26H24FN5O2/c1-14-24-21(13-34-14)18-10-16(4-7-22(18)30-25(24)28)26(33)32-11-19(15-2-5-17(27)6-3-15)20(12-32)23-8-9-29-31-23/h2-10,14,19-20H,11-13H2,1H3,(H2,28,30)(H,29,31)/t14-,19-,20+/m1/s1
InChIKeyLSFWMSAJLNBJCF-XMCHAPAWSA-N
MW457.51 g/mol
LogP4.29
Rot. Bonds3

About [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 164798449) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID164798449
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3C[C@H](c4ccc(F)cc4)[C@@H](c4ccn[nH]4)C3)cc21
InChIInChI=1S/C26H24FN5O2/c1-14-24-21(13-34-14)18-10-16(4-7-22(18)30-25(24)28)26(33)32-11-19(15-2-5-17(27)6-3-15)20(12-32)23-8-9-29-31-23/h2-10,14,19-20H,11-13H2,1H3,(H2,28,30)(H,29,31)/t14-,19-,20+/m1/s1
InChIKeyLSFWMSAJLNBJCF-XMCHAPAWSA-N
XLogP4.29
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-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 [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 164798449) is [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N3C[C@H](c4ccc(F)cc4)[C@@H](c4ccn[nH]4)C3)cc21.
What is the InChIKey of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LSFWMSAJLNBJCF-XMCHAPAWSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-14-24-21(13-34-14)18-10-16(4-7-22(18)30-25(24)28)26(33)32-11-19(15-2-5-17(27)6-3-15)20(12-32)23-8-9-29-31-23/h2-10,14,19-20H,11-13H2,1H3,(H2,28,30)(H,29,31)/t14-,19-,20+/m1/s1.
What are the key properties of [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
[(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 457.51 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]quinolin-8-yl]-[(3S,4R)-3-(4-fluorophenyl)-4-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164798449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).