4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide

C23H24N6O3 — CID 164867158

IUPAC4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCCOc1ccc2c(n1)COC[C@H]2N(C)C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1
InChIInChI=1S/C23H24N6O3/c1-4-32-20-8-6-14-18(26-20)11-31-12-19(14)28(2)23(30)13-5-7-17-15(9-13)16-10-25-29(3)21(16)22(24)27-17/h5-10,19H,4,11-12H2,1-3H3,(H2,24,27)/t19-/m1/s1
InChIKeyQNJAVOOWTFFKPX-LJQANCHMSA-N
MW432.48 g/mol
LogP2.84
Rot. Bonds4

About 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 164867158) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
PubChem CID164867158
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCCOc1ccc2c(n1)COC[C@H]2N(C)C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1
InChIInChI=1S/C23H24N6O3/c1-4-32-20-8-6-14-18(26-20)11-31-12-19(14)28(2)23(30)13-5-7-17-15(9-13)16-10-25-29(3)21(16)22(24)27-17/h5-10,19H,4,11-12H2,1-3H3,(H2,24,27)/t19-/m1/s1
InChIKeyQNJAVOOWTFFKPX-LJQANCHMSA-N
XLogP2.84
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-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 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide (CID 164867158) is 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide is CCOc1ccc2c(n1)COC[C@H]2N(C)C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1.
What is the InChIKey of 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
The InChIKey is QNJAVOOWTFFKPX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-4-32-20-8-6-14-18(26-20)11-31-12-19(14)28(2)23(30)13-5-7-17-15(9-13)16-10-25-29(3)21(16)22(24)27-17/h5-10,19H,4,11-12H2,1-3H3,(H2,24,27)/t19-/m1/s1.
What are the key properties of 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide?
4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).