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

C27H30N6O2 — CID 54585261

IUPACN-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN2CCN(C(=O)N3CCC(c4cn[nH]c4)C3)c3ccccc32)cc1
InChIInChI=1S/C27H30N6O2/c34-26(30-23-9-10-23)20-7-5-19(6-8-20)17-31-13-14-33(25-4-2-1-3-24(25)31)27(35)32-12-11-21(18-32)22-15-28-29-16-22/h1-8,15-16,21,23H,9-14,17-18H2,(H,28,29)(H,30,34)
InChIKeyFPUZSZADMZXCSW-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.74
Rot. Bonds5

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

N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide (PubChem CID 54585261) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide
PubChem CID54585261
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN2CCN(C(=O)N3CCC(c4cn[nH]c4)C3)c3ccccc32)cc1
InChIInChI=1S/C27H30N6O2/c34-26(30-23-9-10-23)20-7-5-19(6-8-20)17-31-13-14-33(25-4-2-1-3-24(25)31)27(35)32-12-11-21(18-32)22-15-28-29-16-22/h1-8,15-16,21,23H,9-14,17-18H2,(H,28,29)(H,30,34)
InChIKeyFPUZSZADMZXCSW-UHFFFAOYSA-N
XLogP3.74
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroquinoxalin-1(2H)-yl)methanone
CID 54583350
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide
CID 54586218
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)-N-cyclopropylbenzamide
CID 54587245
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
7-(4-(1H-Pyrazol-3-yl)benzamido)-N-methyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 162673238
3-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 16378513
N-(2-aminophenyl)-4-(3-(4-(((2-(1-isopropyl-1H-pyrazol-4-yl)cyclopropyl)amino)methyl)piperidin-1-yl)propyl)benzamide TFA Salt
CID 132117132
N-[2-(3-phenyl-1-piperidinyl)ethyl]-4-(1H-pyrazol-3-yl)benzamide
CID 72838818
N-[2-(4-Phenylpiperidin-1-YL)ethyl]-4-(1H-pyrazol-3-YL)benzamide
CID 72890537
N-[2-(3-phenyl-1-pyrrolidinyl)ethyl]-4-(1H-pyrazol-3-yl)benzamide
CID 72929497
N-(3-fluorophenyl)-4-methyl-1,5-dioxo-8-(1H-pyrazol-4-yl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 177649209

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]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide (CID 54585261) is N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide is O=C(NC1CC1)c1ccc(CN2CCN(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]methyl]benzamide?
The InChIKey is FPUZSZADMZXCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c34-26(30-23-9-10-23)20-7-5-19(6-8-20)17-31-13-14-33(25-4-2-1-3-24(25)31)27(35)32-12-11-21(18-32)22-15-28-29-16-22/h1-8,15-16,21,23H,9-14,17-18H2,(H,28,29)(H,30,34).
What are the key properties of N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide?
N-cyclopropyl-4-[[4-[3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl]-2,3-dihydroquinoxalin-1-yl]methyl]benzamide has a molecular weight of 470.58 g/mol, XLogP of 3.74, 5 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]methyl]benzamide is sourced from PubChem (CID 54585261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).