N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide

C26H28N6O2 — CID 54587245

IUPACN-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(N2CCN(C(=O)N3CCC(c4cn[nH]c4)C3)c3ccccc32)cc1
InChIInChI=1S/C26H28N6O2/c33-25(29-21-7-8-21)18-5-9-22(10-6-18)31-13-14-32(24-4-2-1-3-23(24)31)26(34)30-12-11-19(17-30)20-15-27-28-16-20/h1-6,9-10,15-16,19,21H,7-8,11-14,17H2,(H,27,28)(H,29,33)
InChIKeyOSDMMAOYAANGHP-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.87
Rot. Bonds4

About N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide

N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide (PubChem CID 54587245) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide
PubChem CID54587245
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(N2CCN(C(=O)N3CCC(c4cn[nH]c4)C3)c3ccccc32)cc1
InChIInChI=1S/C26H28N6O2/c33-25(29-21-7-8-21)18-5-9-22(10-6-18)31-13-14-32(24-4-2-1-3-23(24)31)26(34)30-12-11-19(17-30)20-15-27-28-16-20/h1-6,9-10,15-16,19,21H,7-8,11-14,17H2,(H,27,28)(H,29,33)
InChIKeyOSDMMAOYAANGHP-UHFFFAOYSA-N
XLogP3.87
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzonitrile
CID 54580344
4-((4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)methyl)-N-cyclopropylbenzamide
CID 54585261
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide
CID 54586218
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
N-methyl-7-[[3-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162646849
N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162671076
N-methyl-7-[[3-(1H-pyrazol-5-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 162671709
7-(4-(1H-Pyrazol-3-yl)benzamido)-N-methyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 162673238
N-[4-(4,5,6,7-tetrahydro-1H-indazol-5-ylcarbamoyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510724
3-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 16378513
US10112929, Example 388
CID 122515850
4-(4-acetylphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084960

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide (CID 54587245) is N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide is O=C(NC1CC1)c1ccc(N2CCN(C(=O)N3CCC(c4cn[nH]c4)C3)c3ccccc32)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide?
The InChIKey is OSDMMAOYAANGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c33-25(29-21-7-8-21)18-5-9-22(10-6-18)31-13-14-32(24-4-2-1-3-23(24)31)26(34)30-12-11-19(17-30)20-15-27-28-16-20/h1-6,9-10,15-16,19,21H,7-8,11-14,17H2,(H,27,28)(H,29,33).
What are the key properties of N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide?
N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide has a molecular weight of 456.55 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]benzamide is sourced from PubChem (CID 54587245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).