(3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide

C26H31N5O4 — CID 58310640

IUPAC(3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccc(C(=O)N(C)C)cc2C1
InChIInChI=1S/C26H31N5O4/c1-30(2)9-10-34-24-13-17(21-14-27-28-15-21)5-7-22(24)29-25(32)20-12-19-11-18(26(33)31(3)4)6-8-23(19)35-16-20/h5-8,11,13-15,20H,9-10,12,16H2,1-4H3,(H,27,28)(H,29,32)/t20-/m0/s1
InChIKeyYBTKWYQSDWXUFJ-FQEVSTJZSA-N
MW477.57 g/mol
LogP2.91
Rot. Bonds8

About (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide

(3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide (PubChem CID 58310640) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
PubChem CID58310640
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name(3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccc(C(=O)N(C)C)cc2C1
InChIInChI=1S/C26H31N5O4/c1-30(2)9-10-34-24-13-17(21-14-27-28-15-21)5-7-22(24)29-25(32)20-12-19-11-18(26(33)31(3)4)6-8-23(19)35-16-20/h5-8,11,13-15,20H,9-10,12,16H2,1-4H3,(H,27,28)(H,29,32)/t20-/m0/s1
InChIKeyYBTKWYQSDWXUFJ-FQEVSTJZSA-N
XLogP2.91
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide 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

3-[[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 67238305
3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
CID 67237891
3-[2-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetyl]-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 58310877
6-acetyl-N-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)ethoxy]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310686
N-[2-[2-(dimethylamino)ethyl-methylamino]oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310681
3-N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[2-(dimethylamino)ethoxy]phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide
CID 143821855
(3S)-N-[2-[2-(dimethylamino)ethoxy]-5-fluoro-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566172
N-[2-(2-aminoethoxy)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310764
6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
CID 117075463
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-(1H-pyrazol-4-yl)phenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310645
(3R)-6-methoxy-N-[2-(2-phenylmethoxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566310
N-[2-(2-aminoethoxy)-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117075809

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide (CID 58310640) is (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide is CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccc(C(=O)N(C)C)cc2C1.
What is the InChIKey of (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The InChIKey is YBTKWYQSDWXUFJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-30(2)9-10-34-24-13-17(21-14-27-28-15-21)5-7-22(24)29-25(32)20-12-19-11-18(26(33)31(3)4)6-8-23(19)35-16-20/h5-8,11,13-15,20H,9-10,12,16H2,1-4H3,(H,27,28)(H,29,32)/t20-/m0/s1.
What are the key properties of (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
(3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-N,6-N-dimethyl-3,4-dihydro-2H-chromene-3,6-dicarboxamide is sourced from PubChem (CID 58310640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).