(4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

C17H20N4O3 — CID 124875193

IUPAC(4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCCO[C@@H](C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1
InChIInChI=1S/C17H20N4O3/c1-3-23-10(2)21-9-11(8-20-21)15-12(7-18)17(19)24-14-6-4-5-13(22)16(14)15/h8-10,15H,3-6,19H2,1-2H3/t10-,15-/m0/s1
InChIKeyGJTKMVWVUUNZDC-BONVTDFDSA-N
MW328.37 g/mol
LogP2.25
Rot. Bonds4

About (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

(4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 124875193) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID124875193
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCCO[C@@H](C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1
InChIInChI=1S/C17H20N4O3/c1-3-23-10(2)21-9-11(8-20-21)15-12(7-18)17(19)24-14-6-4-5-13(22)16(14)15/h8-10,15H,3-6,19H2,1-2H3/t10-,15-/m0/s1
InChIKeyGJTKMVWVUUNZDC-BONVTDFDSA-N
XLogP2.25
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-2-amino-5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 124874114
(4R)-2-amino-4-(1-methylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 124874142
(4R)-2-amino-4-(1-cyclopentylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 124875989
(4R)-2-amino-4-(4-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 672996
2-amino-4-(2-butan-2-ylpyrazol-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 132948257
(4S)-2-amino-4-(3,4-diethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1002366
(4R)-2-amino-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 696021
(4R)-2-amino-4-(4-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 7013357
(4R)-2-amino-4-(1,4-dimethylpyrazol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 124876954
(4R)-2-amino-4-(1,5-dimethylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 841816
(4S)-2-amino-5-oxo-4-(1-propan-2-ylpyrazol-3-yl)-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 124878416
(4R)-2-amino-4-(3,4-diethoxy-5-iodophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 126144852

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 124875193) is (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is CCO[C@@H](C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1.
What is the InChIKey of (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is GJTKMVWVUUNZDC-BONVTDFDSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-23-10(2)21-9-11(8-20-21)15-12(7-18)17(19)24-14-6-4-5-13(22)16(14)15/h8-10,15H,3-6,19H2,1-2H3/t10-,15-/m0/s1.
What are the key properties of (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
(4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 328.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-[1-[(1S)-1-ethoxyethyl]pyrazol-4-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 124875193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).