(4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C24H27N3O3 — CID 1421632

IUPAC(4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C24H27N3O3/c1-14(2)16-6-8-17(9-7-16)21-19(12-25)23(26)30-20-11-15(3)27(24(28)22(20)21)13-18-5-4-10-29-18/h6-9,11,14,18,21H,4-5,10,13,26H2,1-3H3/t18-,21+/m1/s1
InChIKeySBNDMDZYCGAFQT-NQIIRXRSSA-N
MW405.50 g/mol
LogP3.68
Rot. Bonds4

About (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

(4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 1421632) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID1421632
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C24H27N3O3/c1-14(2)16-6-8-17(9-7-16)21-19(12-25)23(26)30-20-11-15(3)27(24(28)22(20)21)13-18-5-4-10-29-18/h6-9,11,14,18,21H,4-5,10,13,26H2,1-3H3/t18-,21+/m1/s1
InChIKeySBNDMDZYCGAFQT-NQIIRXRSSA-N
XLogP3.68
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661945
2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-(propan-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666654
2-amino-4-benzyl-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666721
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 667387
2-amino-4-(3-fluorophenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3815636
2-amino-4-(4-isopropylphenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4888550
methyl 2-amino-7-methyl-5-oxo-4-phenyl-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666370
(R)-2-amino-4-(o-fluorophenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-1-oxa-6-aza-5,6-dihydro-4H-naphthalene-3-carbonitrile
CID 1878368
2-amino-4-(2-fluorophenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3734489
2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3977692
2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-6-((tetrahydrofuran-2-yl)methyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4040194
2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-((tetrahydrofuran-2-yl)methyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4284536

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 1421632) is (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2.
What is the InChIKey of (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is SBNDMDZYCGAFQT-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-14(2)16-6-8-17(9-7-16)21-19(12-25)23(26)30-20-11-15(3)27(24(28)22(20)21)13-18-5-4-10-29-18/h6-9,11,14,18,21H,4-5,10,13,26H2,1-3H3/t18-,21+/m1/s1.
What are the key properties of (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
(4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 405.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-7-methyl-5-oxo-6-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 1421632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).