(3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

C26H24N6O2 — CID 163382790

IUPAC(3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C#N)cn3)[C@H]3CCC[C@@H]3C#N)cc21
InChIInChI=1S/C26H24N6O2/c1-15-24-21(14-34-15)20-9-17(6-8-22(20)31-25(24)29)26(33)32(23-4-2-3-18(23)11-28)13-19-7-5-16(10-27)12-30-19/h5-9,12,15,18,23H,2-4,13-14H2,1H3,(H2,29,31)/t15-,18-,23+/m1/s1
InChIKeyVJEACYMTOMPROJ-YLEKAMJDSA-N
MW452.52 g/mol
LogP4.01
Rot. Bonds4

About (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide

(3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (PubChem CID 163382790) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
PubChem CID163382790
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name(3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
SMILESC[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C#N)cn3)[C@H]3CCC[C@@H]3C#N)cc21
InChIInChI=1S/C26H24N6O2/c1-15-24-21(14-34-15)20-9-17(6-8-22(20)31-25(24)29)26(33)32(23-4-2-3-18(23)11-28)13-19-7-5-16(10-27)12-30-19/h5-9,12,15,18,23H,2-4,13-14H2,1H3,(H2,29,31)/t15-,18-,23+/m1/s1
InChIKeyVJEACYMTOMPROJ-YLEKAMJDSA-N
XLogP4.01
TPSA128.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide 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-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The IUPAC name of (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide (CID 163382790) is (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide.
What is the SMILES notation for (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The canonical SMILES for (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is C[C@H]1OCc2c1c(N)nc1ccc(C(=O)N(Cc3ccc(C#N)cn3)[C@H]3CCC[C@@H]3C#N)cc21.
What is the InChIKey of (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
The InChIKey is VJEACYMTOMPROJ-YLEKAMJDSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-15-24-21(14-34-15)20-9-17(6-8-22(20)31-25(24)29)26(33)32(23-4-2-3-18(23)11-28)13-19-7-5-16(10-27)12-30-19/h5-9,12,15,18,23H,2-4,13-14H2,1H3,(H2,29,31)/t15-,18-,23+/m1/s1.
What are the key properties of (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide?
(3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).